N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide

C21H21N3O — CID 9210094

IUPACN-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CC2)cc1
InChIInChI=1S/C21H21N3O/c1-2-15-8-10-16(11-9-15)20-19(21(25)22-17-12-13-17)14-24(23-20)18-6-4-3-5-7-18/h3-11,14,17H,2,12-13H2,1H3,(H,22,25)
InChIKeyGZKSTFXWTATRFB-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.99
Rot. Bonds5

About N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide

N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 9210094) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID9210094
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CC2)cc1
InChIInChI=1S/C21H21N3O/c1-2-15-8-10-16(11-9-15)20-19(21(25)22-17-12-13-17)14-24(23-20)18-6-4-3-5-7-18/h3-11,14,17H,2,12-13H2,1H3,(H,22,25)
InChIKeyGZKSTFXWTATRFB-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 60513846
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 26419045
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477405
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 46540299
propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate
CID 56551041
[2-(cyclopropylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2580715
N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 78767481
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119412111
3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55548850
3-(4-ethylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55965213
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide (CID 9210094) is N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide is CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is GZKSTFXWTATRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-2-15-8-10-16(11-9-15)20-19(21(25)22-17-12-13-17)14-24(23-20)18-6-4-3-5-7-18/h3-11,14,17H,2,12-13H2,1H3,(H,22,25).
What are the key properties of N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide?
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9210094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).