N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide

C17H22N4O — CID 20918275

IUPACN-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C17H22N4O/c1-13-11-16(20-19-13)17(22)18-15-7-9-21(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,22)(H,19,20)
InChIKeyPDLUASJINXEMLY-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.11
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide

N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 20918275) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID20918275
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C17H22N4O/c1-13-11-16(20-19-13)17(22)18-15-7-9-21(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,22)(H,19,20)
InChIKeyPDLUASJINXEMLY-UHFFFAOYSA-N
XLogP2.11
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Facinicline
CID 9970357
Kw-2449
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3-Isopropyl-N'-(3-phenyl-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 1606508
N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
CID 135319024
US10022354, Example 61
CID 121279700
US10022354, Example 183
CID 121279732
phenyl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17582198
Facinicline hydrochloride
CID 10380472
3-(4-fluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 145970598
3-(4-chlorophenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4096003
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide (CID 20918275) is N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)n[nH]1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is PDLUASJINXEMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-11-16(20-19-13)17(22)18-15-7-9-21(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 20918275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).