1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

C20H27N3O — CID 72933924

IUPAC1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NC1(c2ccc(C)cc2)CC1
InChIInChI=1S/C20H27N3O/c1-5-23-18(13-17(22-23)12-14(2)3)19(24)21-20(10-11-20)16-8-6-15(4)7-9-16/h6-9,13-14H,5,10-12H2,1-4H3,(H,21,24)
InChIKeyTZQAWOPHGADIOV-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.83
Rot. Bonds6

About 1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 72933924) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID72933924
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NC1(c2ccc(C)cc2)CC1
InChIInChI=1S/C20H27N3O/c1-5-23-18(13-17(22-23)12-14(2)3)19(24)21-20(10-11-20)16-8-6-15(4)7-9-16/h6-9,13-14H,5,10-12H2,1-4H3,(H,21,24)
InChIKeyTZQAWOPHGADIOV-UHFFFAOYSA-N
XLogP3.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide
CID 97110787
(2R,3S)-2-[[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]amino]-3-hydroxybutanoic acid
CID 72912017
1-ethyl-N-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70756597
1-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131935945
1-ethyl-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70730522
1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131904122
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72905914
1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide
CID 97136741
1-ethyl-N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131889543
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone
CID 162636784
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72864861
1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
CID 95127727

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 72933924) is 1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)NC1(c2ccc(C)cc2)CC1.
What is the InChIKey of 1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is TZQAWOPHGADIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-23-18(13-17(22-23)12-14(2)3)19(24)21-20(10-11-20)16-8-6-15(4)7-9-16/h6-9,13-14H,5,10-12H2,1-4H3,(H,21,24).
What are the key properties of 1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 72933924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).