N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C16H15N3O3S2 — CID 60511742

IUPACN-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C16H15N3O3S2/c1-24(21,22)12-6-4-11(5-7-12)10-17-16(20)14-9-13(18-19-14)15-3-2-8-23-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyRBGYBLZNMGPCKQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.47
Rot. Bonds5

About N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 60511742) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID60511742
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C16H15N3O3S2/c1-24(21,22)12-6-4-11(5-7-12)10-17-16(20)14-9-13(18-19-14)15-3-2-8-23-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyRBGYBLZNMGPCKQ-UHFFFAOYSA-N
XLogP2.47
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
6-N-[(2R)-1-hydroxypropan-2-yl]-2-N-[(4-methylsulfonylphenyl)methyl]-4-thiophen-2-ylpyridine-2,6-dicarboxamide
CID 59406438
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150
N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55957132
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55749353
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738648
N-[3-[(5-chlorofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 131990285
N-[3-[(5-bromofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 131990257
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 122245898
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 112828754

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 60511742) is N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is RBGYBLZNMGPCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-24(21,22)12-6-4-11(5-7-12)10-17-16(20)14-9-13(18-19-14)15-3-2-8-23-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60511742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).