N-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide

C11H13N3O3S — CID 23050740

IUPACN-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C11H13N3O3S/c1-9-7-8-14(12-9)11(15)13-18(16,17)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,15)
InChIKeyQCNQBLJODCEKRW-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.17
Rot. Bonds2

About N-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide

N-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050740) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050740
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C11H13N3O3S/c1-9-7-8-14(12-9)11(15)13-18(16,17)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,15)
InChIKeyQCNQBLJODCEKRW-UHFFFAOYSA-N
XLogP1.17
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide (CID 23050740) is N-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide is CC1=NN(C(=O)NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is QCNQBLJODCEKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-9-7-8-14(12-9)11(15)13-18(16,17)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,15).
What are the key properties of N-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide?
N-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).