1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide

C17H22N4O — CID 119428406

IUPAC1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCNC2)cnn1Cc1ccccc1
InChIInChI=1S/C17H22N4O/c1-13-16(17(22)20-15-8-5-9-18-10-15)11-19-21(13)12-14-6-3-2-4-7-14/h2-4,6-7,11,15,18H,5,8-10,12H2,1H3,(H,20,22)
InChIKeyLQTOAOMHNNYVEL-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.72
Rot. Bonds4

About 1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide

1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide (PubChem CID 119428406) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
PubChem CID119428406
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCNC2)cnn1Cc1ccccc1
InChIInChI=1S/C17H22N4O/c1-13-16(17(22)20-15-8-5-9-18-10-15)11-19-21(13)12-14-6-3-2-4-7-14/h2-4,6-7,11,15,18H,5,8-10,12H2,1H3,(H,20,22)
InChIKeyLQTOAOMHNNYVEL-UHFFFAOYSA-N
XLogP1.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119427580
1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 120577133
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 115044845
1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119557582
1-(4-bromophenyl)-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119426369
1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
CID 86848638
1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120644407
1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120601726
2-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546076
N-piperidin-3-ylbenzamide
CID 22017045
1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide (CID 119428406) is 1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide is Cc1c(C(=O)NC2CCCNC2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide?
The InChIKey is LQTOAOMHNNYVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-16(17(22)20-15-8-5-9-18-10-15)11-19-21(13)12-14-6-3-2-4-7-14/h2-4,6-7,11,15,18H,5,8-10,12H2,1H3,(H,20,22).
What are the key properties of 1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide?
1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.72, 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-piperidin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 119428406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).