1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide

C18H24N4O — CID 120577133

IUPAC1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCNC2C)cnn1Cc1ccccc1
InChIInChI=1S/C18H24N4O/c1-13-17(9-6-10-19-13)21-18(23)16-11-20-22(14(16)2)12-15-7-4-3-5-8-15/h3-5,7-8,11,13,17,19H,6,9-10,12H2,1-2H3,(H,21,23)
InChIKeySMOPGCJVCWXDEX-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.11
Rot. Bonds4

About 1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide

1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide (PubChem CID 120577133) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide
PubChem CID120577133
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCNC2C)cnn1Cc1ccccc1
InChIInChI=1S/C18H24N4O/c1-13-17(9-6-10-19-13)21-18(23)16-11-20-22(14(16)2)12-15-7-4-3-5-8-15/h3-5,7-8,11,13,17,19H,6,9-10,12H2,1-2H3,(H,21,23)
InChIKeySMOPGCJVCWXDEX-UHFFFAOYSA-N
XLogP2.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119428406
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide
CID 120574310
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120575921
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide
CID 120575807
5-ethyl-N-(2-methylpiperidin-3-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 120575667
N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120577775
2-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546076

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide (CID 120577133) is 1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide is Cc1c(C(=O)NC2CCCNC2C)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is SMOPGCJVCWXDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-17(9-6-10-19-13)21-18(23)16-11-20-22(14(16)2)12-15-7-4-3-5-8-15/h3-5,7-8,11,13,17,19H,6,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide?
1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 120577133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).