N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide

C22H26N4OS — CID 95805304

IUPACN-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCN(Cc2cccs2)C1
InChIInChI=1S/C22H26N4OS/c1-25(14-17-7-3-2-4-8-17)22(27)20-13-23-24-21(20)18-9-5-11-26(15-18)16-19-10-6-12-28-19/h2-4,6-8,10,12-13,18H,5,9,11,14-16H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeyLJRHYITURAQAQH-SFHVURJKSA-N
MW394.54 g/mol
LogP4.12
Rot. Bonds6

About N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide

N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 95805304) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID95805304
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC NameN-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCN(Cc2cccs2)C1
InChIInChI=1S/C22H26N4OS/c1-25(14-17-7-3-2-4-8-17)22(27)20-13-23-24-21(20)18-9-5-11-26(15-18)16-19-10-6-12-28-19/h2-4,6-8,10,12-13,18H,5,9,11,14-16H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeyLJRHYITURAQAQH-SFHVURJKSA-N
XLogP4.12
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
N-benzyl-5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110083044
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
5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 128968595
N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124998845
3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine
CID 45237286
N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 128968053
1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110106276

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 95805304) is N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide is CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCN(Cc2cccs2)C1.
What is the InChIKey of N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is LJRHYITURAQAQH-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-25(14-17-7-3-2-4-8-17)22(27)20-13-23-24-21(20)18-9-5-11-26(15-18)16-19-10-6-12-28-19/h2-4,6-8,10,12-13,18H,5,9,11,14-16H2,1H3,(H,23,24)/t18-/m0/s1.
What are the key properties of N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95805304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).