1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride

C17H23ClN4O — CID 120574286

IUPAC1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cnn(Cc2ccccc2)c1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-13-16(8-5-9-18-13)20-17(22)15-10-19-21(12-15)11-14-6-3-2-4-7-14;/h2-4,6-7,10,12-13,16,18H,5,8-9,11H2,1H3,(H,20,22);1H
InChIKeyBPGFRVFOSVDPIW-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.22
Rot. Bonds4

About 1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride

1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 120574286) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
PubChem CID120574286
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cnn(Cc2ccccc2)c1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-13-16(8-5-9-18-13)20-17(22)15-10-19-21(12-15)11-14-6-3-2-4-7-14;/h2-4,6-7,10,12-13,16,18H,5,8-9,11H2,1H3,(H,20,22);1H
InChIKeyBPGFRVFOSVDPIW-UHFFFAOYSA-N
XLogP2.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 120577775
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1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide
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N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
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N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
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CID 40710526
2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 166296160
3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 75498105
(1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570179
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 120577532

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride (CID 120574286) is 1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride is CC1NCCCC1NC(=O)c1cnn(Cc2ccccc2)c1.Cl.
What is the InChIKey of 1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is BPGFRVFOSVDPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-13-16(8-5-9-18-13)20-17(22)15-10-19-21(12-15)11-14-6-3-2-4-7-14;/h2-4,6-7,10,12-13,16,18H,5,8-9,11H2,1H3,(H,20,22);1H.
What are the key properties of 1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride?
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120574286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).