1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide

C17H22N4O3S — CID 51321501

IUPAC1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C17H22N4O3S/c1-20-13-15(12-19-20)17(22)18-11-14-7-3-4-8-16(14)25(23,24)21-9-5-2-6-10-21/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,18,22)
InChIKeyMGOFFMVCFJJHMO-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.52
Rot. Bonds5

About 1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide

1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 51321501) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID51321501
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C17H22N4O3S/c1-20-13-15(12-19-20)17(22)18-11-14-7-3-4-8-16(14)25(23,24)21-9-5-2-6-10-21/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,18,22)
InChIKeyMGOFFMVCFJJHMO-UHFFFAOYSA-N
XLogP1.52
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 18149126
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 111661814
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119
1-benzyl-2-methyl-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 110952470
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine
CID 111123793
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide
CID 138042455
2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119700333
1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 112829659
1-oxo-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]-2H-isoquinoline-3-carboxamide
CID 24676450
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111123792
N',3,3-trimethyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738282

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide (CID 51321501) is 1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of 1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is MGOFFMVCFJJHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-20-13-15(12-19-20)17(22)18-11-14-7-3-4-8-16(14)25(23,24)21-9-5-2-6-10-21/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,18,22).
What are the key properties of 1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide?
1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51321501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).