1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide

C17H21ClN4O — CID 120553896

IUPAC1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCC1CNCCC1NC(=O)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C17H21ClN4O/c1-12-8-19-7-6-16(12)21-17(23)14-9-20-22(11-14)10-13-4-2-3-5-15(13)18/h2-5,9,11-12,16,19H,6-8,10H2,1H3,(H,21,23)
InChIKeyJHHPTJLWOWGFSB-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.31
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 120553896) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID120553896
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCC1CNCCC1NC(=O)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C17H21ClN4O/c1-12-8-19-7-6-16(12)21-17(23)14-9-20-22(11-14)10-13-4-2-3-5-15(13)18/h2-5,9,11-12,16,19H,6-8,10H2,1H3,(H,21,23)
InChIKeyJHHPTJLWOWGFSB-UHFFFAOYSA-N
XLogP2.31
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120556372
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 75361341
1-[(2-chlorophenyl)methyl]-N'-(cyclopropanecarbonyl)pyrazole-4-carbohydrazide
CID 25393908
1-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
CID 51272859
1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
CID 18132090
1-[(2-chlorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 120888529
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120557850
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 154759833
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
1-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 18160340
1-[(2-chlorophenyl)methyl]-N-(3-piperazin-1-ylpropyl)pyrazole-4-carboxamide;hydrochloride
CID 119393831

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide (CID 120553896) is 1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide is CC1CNCCC1NC(=O)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is JHHPTJLWOWGFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12-8-19-7-6-16(12)21-17(23)14-9-20-22(11-14)10-13-4-2-3-5-15(13)18/h2-5,9,11-12,16,19H,6-8,10H2,1H3,(H,21,23).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 120553896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).