N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide

C19H25N3O — CID 98680919

IUPACN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H25N3O/c1-14-5-3-6-18(15(14)2)21-19(23)13-16-7-9-17(10-8-16)22-12-4-11-20-22/h4,7-12,14-15,18H,3,5-6,13H2,1-2H3,(H,21,23)/t14-,15+,18-/m1/s1
InChIKeyWIQNOYAIUYGHGP-RVKKMQEKSA-N
MW311.43 g/mol
LogP3.36
Rot. Bonds4

About N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 98680919) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID98680919
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H25N3O/c1-14-5-3-6-18(15(14)2)21-19(23)13-16-7-9-17(10-8-16)22-12-4-11-20-22/h4,7-12,14-15,18H,3,5-6,13H2,1-2H3,(H,21,23)/t14-,15+,18-/m1/s1
InChIKeyWIQNOYAIUYGHGP-RVKKMQEKSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 51948680
2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 18206629
N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide
CID 51165974
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 11914891
N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129045248
N'-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-[(4-fluorophenyl)methyl]butanediamide
CID 40640694
1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 110933218
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 124589903
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide
CID 98701498
N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide
CID 86991486
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide
CID 27235346
N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide
CID 51165973

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide (CID 98680919) is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide is C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is WIQNOYAIUYGHGP-RVKKMQEKSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-5-3-6-18(15(14)2)21-19(23)13-16-7-9-17(10-8-16)22-12-4-11-20-22/h4,7-12,14-15,18H,3,5-6,13H2,1-2H3,(H,21,23)/t14-,15+,18-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 98680919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).