(4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone

C19H23ClN4O2 — CID 167783081

IUPAC(4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCCC1CN(C(=O)c2cc(C)[nH]n2)CCN1C(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C19H23ClN4O2/c1-4-15-11-23(19(26)17-10-13(3)21-22-17)7-8-24(15)18(25)14-5-6-16(20)12(2)9-14/h5-6,9-10,15H,4,7-8,11H2,1-3H3,(H,21,22)
InChIKeyPVDGBEQUXWKMBL-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.06
Rot. Bonds3

About (4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone

(4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 167783081) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID167783081
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name(4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCCC1CN(C(=O)c2cc(C)[nH]n2)CCN1C(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C19H23ClN4O2/c1-4-15-11-23(19(26)17-10-13(3)21-22-17)7-8-24(15)18(25)14-5-6-16(20)12(2)9-14/h5-6,9-10,15H,4,7-8,11H2,1-3H3,(H,21,22)
InChIKeyPVDGBEQUXWKMBL-UHFFFAOYSA-N
XLogP3.06
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
[(3R)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone;hydrochloride
CID 119413588
4-[[[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019924
(3-chloro-4-hydroxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 55218173
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
(4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 113351034
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421759
4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70764751
4-[[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95889323
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone (CID 167783081) is (4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone is CCC1CN(C(=O)c2cc(C)[nH]n2)CCN1C(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of (4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is PVDGBEQUXWKMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-4-15-11-23(19(26)17-10-13(3)21-22-17)7-8-24(15)18(25)14-5-6-16(20)12(2)9-14/h5-6,9-10,15H,4,7-8,11H2,1-3H3,(H,21,22).
What are the key properties of (4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
(4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 374.87 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-[2-ethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 167783081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).