1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone

C25H28N4O2 — CID 29202211

IUPAC1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone
SMILESCCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-4-20-9-11-21(12-10-20)24-22(17-29(26-24)23-8-6-5-7-18(23)2)25(31)28-15-13-27(14-16-28)19(3)30/h5-12,17H,4,13-16H2,1-3H3
InChIKeyUSIOQWSSIRSNRR-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.71
Rot. Bonds4

About 1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 29202211) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID29202211
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone
SMILESCCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-4-20-9-11-21(12-10-20)24-22(17-29(26-24)23-8-6-5-7-18(23)2)25(31)28-15-13-27(14-16-28)19(3)30/h5-12,17H,4,13-16H2,1-3H3
InChIKeyUSIOQWSSIRSNRR-UHFFFAOYSA-N
XLogP3.71
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55548850
1-[4-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 29202210
9-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 139008258
methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate
CID 9277921
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 56558529
2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 166224821
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119412111
3-(4-ethylphenyl)-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 56576170
1-[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 134061676
4-ethyl-3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazole
CID 141089638
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834
[1-(2-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone
CID 8893067

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone (CID 29202211) is 1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone is CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is USIOQWSSIRSNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-4-20-9-11-21(12-10-20)24-22(17-29(26-24)23-8-6-5-7-18(23)2)25(31)28-15-13-27(14-16-28)19(3)30/h5-12,17H,4,13-16H2,1-3H3.
What are the key properties of 1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 416.53 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 29202211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).