5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide

C21H27N3O — CID 112814365

IUPAC5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide
SMILESCC1CCCC(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)C1C
InChIInChI=1S/C21H27N3O/c1-14-7-6-10-19(15(14)2)23-21(25)18-13-22-24(20(18)16-11-12-16)17-8-4-3-5-9-17/h3-5,8-9,13-16,19H,6-7,10-12H2,1-2H3,(H,23,25)
InChIKeyOSMVWPGDHSKXJA-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.30
Rot. Bonds4

About 5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide

5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 112814365) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide
PubChem CID112814365
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide
SMILESCC1CCCC(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)C1C
InChIInChI=1S/C21H27N3O/c1-14-7-6-10-19(15(14)2)23-21(25)18-13-22-24(20(18)16-11-12-16)17-8-4-3-5-9-17/h3-5,8-9,13-16,19H,6-7,10-12H2,1-2H3,(H,23,25)
InChIKeyOSMVWPGDHSKXJA-UHFFFAOYSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55762098
cis-(1S,2R)-2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 146107820
N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477727
5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide
CID 42949142
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 51933899
N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120505954
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42949053
N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119498276
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 112846073
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 11920427

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide (CID 112814365) is 5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide is CC1CCCC(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)C1C.
What is the InChIKey of 5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is OSMVWPGDHSKXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-14-7-6-10-19(15(14)2)23-21(25)18-13-22-24(20(18)16-11-12-16)17-8-4-3-5-9-17/h3-5,8-9,13-16,19H,6-7,10-12H2,1-2H3,(H,23,25).
What are the key properties of 5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide?
5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112814365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).