N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide

C24H28N4O — CID 95805298

IUPACN-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C24H28N4O/c1-27(16-19-9-4-2-5-10-19)24(29)22-15-25-26-23(22)21-13-8-14-28(18-21)17-20-11-6-3-7-12-20/h2-7,9-12,15,21H,8,13-14,16-18H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyFNFCFXKZBPRWKP-NRFANRHFSA-N
MW388.52 g/mol
LogP4.06
Rot. Bonds6

About N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide

N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 95805298) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID95805298
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C24H28N4O/c1-27(16-19-9-4-2-5-10-19)24(29)22-15-25-26-23(22)21-13-8-14-28(18-21)17-20-11-6-3-7-12-20/h2-7,9-12,15,21H,8,13-14,16-18H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyFNFCFXKZBPRWKP-NRFANRHFSA-N
XLogP4.06
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110083044
N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95805304
N-benzyl-5-[(3S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805312
N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124955098
N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124965902
N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 124961073
N-benzyl-N-methyl-5-[(3S)-1-[2-(methylamino)pyridine-4-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 125007348
N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124998845
5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 128968595
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 125010591
5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259464
N-benzyl-5-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110088134

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide (CID 95805298) is N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide is CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is FNFCFXKZBPRWKP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N4O/c1-27(16-19-9-4-2-5-10-19)24(29)22-15-25-26-23(22)21-13-8-14-28(18-21)17-20-11-6-3-7-12-20/h2-7,9-12,15,21H,8,13-14,16-18H2,1H3,(H,25,26)/t21-/m0/s1.
What are the key properties of N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95805298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).