N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide

C17H19ClN4O2 — CID 146133040

IUPACN-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCc1c(NC(=O)C2CCCC(=O)N2C)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN4O2/c1-11-14(10-19-22(11)13-6-3-5-12(18)9-13)20-17(24)15-7-4-8-16(23)21(15)2/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,20,24)
InChIKeyHZKYQQSURLJBCH-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.78
Rot. Bonds3

About N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide

N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide (PubChem CID 146133040) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide
PubChem CID146133040
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCc1c(NC(=O)C2CCCC(=O)N2C)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN4O2/c1-11-14(10-19-22(11)13-6-3-5-12(18)9-13)20-17(24)15-7-4-8-16(23)21(15)2/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,20,24)
InChIKeyHZKYQQSURLJBCH-UHFFFAOYSA-N
XLogP2.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687350
4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide
CID 99696332
N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82528297
1-methyl-N-(5-methyl-1H-indol-6-yl)-6-oxopiperidine-2-carboxamide
CID 146133051
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 154786469
(2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166256094
N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133050
N-[2-(aminomethyl)cyclopentyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119602696
N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687327
1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide
CID 146138327
1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119512036
N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133070

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide (CID 146133040) is N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide is Cc1c(NC(=O)C2CCCC(=O)N2C)cnn1-c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide?
The InChIKey is HZKYQQSURLJBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-11-14(10-19-22(11)13-6-3-5-12(18)9-13)20-17(24)15-7-4-8-16(23)21(15)2/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,20,24).
What are the key properties of N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide?
N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146133040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).