N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide

C19H25N3O — CID 55762098

IUPACN-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCC(C)C2C)nn1-c1ccccc1
InChIInChI=1S/C19H25N3O/c1-13-8-7-11-17(15(13)3)20-19(23)18-12-14(2)22(21-18)16-9-5-4-6-10-16/h4-6,9-10,12-13,15,17H,7-8,11H2,1-3H3,(H,20,23)
InChIKeyXNIDKXSMRFJMHZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.74
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide

N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55762098) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID55762098
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCC(C)C2C)nn1-c1ccccc1
InChIInChI=1S/C19H25N3O/c1-13-8-7-11-17(15(13)3)20-19(23)18-12-14(2)22(21-18)16-9-5-4-6-10-16/h4-6,9-10,12-13,15,17H,7-8,11H2,1-3H3,(H,20,23)
InChIKeyXNIDKXSMRFJMHZ-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55349610
5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide
CID 112814365
N-(2-adamantyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78884030
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide
CID 55779851
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-1-(3-fluorophenyl)-4-methyl-3-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 93317669
N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55761903
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 11907963
N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119573908
5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide
CID 60556519
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide
CID 51969442
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 11907981

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide (CID 55762098) is N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCC(C)C2C)nn1-c1ccccc1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is XNIDKXSMRFJMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13-8-7-11-17(15(13)3)20-19(23)18-12-14(2)22(21-18)16-9-5-4-6-10-16/h4-6,9-10,12-13,15,17H,7-8,11H2,1-3H3,(H,20,23).
What are the key properties of N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55762098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).