N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide

C16H18N4O3S — CID 126833222

IUPACN-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide
SMILESCc1c(C#N)nn(-c2ccccc2)c1NC(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C16H18N4O3S/c1-11(2)24(22,23)10-15(21)18-16-12(3)14(9-17)19-20(16)13-7-5-4-6-8-13/h4-8,11H,10H2,1-3H3,(H,18,21)
InChIKeyGGADPBZQVAGPNW-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.81
Rot. Bonds5

About N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide

N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide (PubChem CID 126833222) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide
PubChem CID126833222
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide
SMILESCc1c(C#N)nn(-c2ccccc2)c1NC(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C16H18N4O3S/c1-11(2)24(22,23)10-15(21)18-16-12(3)14(9-17)19-20(16)13-7-5-4-6-8-13/h4-8,11H,10H2,1-3H3,(H,18,21)
InChIKeyGGADPBZQVAGPNW-UHFFFAOYSA-N
XLogP1.81
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide
CID 756242
3-methyl-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 756245
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4335648
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide
CID 4390646
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 4462899
2,2-dimethyl-N-[2-(2-methylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]propanamide
CID 4577202
N-[2-(2,4-dimethylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
CID 4583155
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 5140889
3-methyl-N-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)butanamide
CID 756241
N-(5,5-dioxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide
CID 3298863
N-(2-(2,3-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)butyramide
CID 3478648
N-(2-(4-fluorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 4110361

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide?
The IUPAC name of N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide (CID 126833222) is N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide is Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)CS(=O)(=O)C(C)C.
What is the InChIKey of N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide?
The InChIKey is GGADPBZQVAGPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-11(2)24(22,23)10-15(21)18-16-12(3)14(9-17)19-20(16)13-7-5-4-6-8-13/h4-8,11H,10H2,1-3H3,(H,18,21).
What are the key properties of N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide?
N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide has a molecular weight of 346.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 126833222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).