CN1C(=C(C=N1)C(=O)NC2C3CC4CC(C3)CC2C4)Cl
Name: N-(2-adamantyl)-5-chloro-1-methylpyrazole-4-carboxamide
SMILES: CN1C(=C(C=N1)C(=O)NC2C3CC4CC(C3)CC2C4)Cl

Molecular Processing

Molecular formula
C15H20ClN3O
Molecular weight
293.8
Exact mass
293.1295
XLogP
2.63
TPSA
46.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.733
Molar refractivity
76.52

Supplementary Information

InChIKey: MDOSYQCTEWFTMZ-UHFFFAOYSA-N
Synonyme
SCHEMBL1406794MDOSYQCTEWFTMZ-UHFFFAOYSA-N5-chloro-1-methyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide
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