N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide

C25H30N4O — CID 124998845

IUPACN-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1ccccc1CN1CCCC[C@@H]1c1[nH]ncc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C25H30N4O/c1-19-10-6-7-13-21(19)18-29-15-9-8-14-23(29)24-22(16-26-27-24)25(30)28(2)17-20-11-4-3-5-12-20/h3-7,10-13,16,23H,8-9,14-15,17-18H2,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyRKPPATMXPDPCNO-HSZRJFAPSA-N
MW402.54 g/mol
LogP4.72
Rot. Bonds6

About N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide

N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 124998845) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID124998845
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1ccccc1CN1CCCC[C@@H]1c1[nH]ncc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C25H30N4O/c1-19-10-6-7-13-21(19)18-29-15-9-8-14-23(29)24-22(16-26-27-24)25(30)28(2)17-20-11-4-3-5-12-20/h3-7,10-13,16,23H,8-9,14-15,17-18H2,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyRKPPATMXPDPCNO-HSZRJFAPSA-N
XLogP4.72
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110088134
N,N-dimethyl-5-[1-(2-phenylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110250337
N-benzyl-5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110083044
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124965902
3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136763355
N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95805304
5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 166229602
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-5-[(3S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805312
N-benzyl-N-methyl-5-[(3S)-1-[2-(methylamino)pyridine-4-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 125007348
N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 124961073

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide (CID 124998845) is N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide is Cc1ccccc1CN1CCCC[C@@H]1c1[nH]ncc1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is RKPPATMXPDPCNO-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N4O/c1-19-10-6-7-13-21(19)18-29-15-9-8-14-23(29)24-22(16-26-27-24)25(30)28(2)17-20-11-4-3-5-12-20/h3-7,10-13,16,23H,8-9,14-15,17-18H2,1-2H3,(H,26,27)/t23-/m1/s1.
What are the key properties of N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 124998845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).