5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide

C14H18N4O3S — CID 60509215

IUPAC5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cccc(S(N)(=O)=O)c2)n[nH]1
InChIInChI=1S/C14H18N4O3S/c1-9(2)12-7-13(18-17-12)14(19)16-8-10-4-3-5-11(6-10)22(15,20)21/h3-7,9H,8H2,1-2H3,(H,16,19)(H,17,18)(H2,15,20,21)
InChIKeyGZUDDQSIGGLGEE-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.11
Rot. Bonds5

About 5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide

5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 60509215) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID60509215
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cccc(S(N)(=O)=O)c2)n[nH]1
InChIInChI=1S/C14H18N4O3S/c1-9(2)12-7-13(18-17-12)14(19)16-8-10-4-3-5-11(6-10)22(15,20)21/h3-7,9H,8H2,1-2H3,(H,16,19)(H,17,18)(H2,15,20,21)
InChIKeyGZUDDQSIGGLGEE-UHFFFAOYSA-N
XLogP1.11
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 60509215) is 5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NCc2cccc(S(N)(=O)=O)c2)n[nH]1.
What is the InChIKey of 5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is GZUDDQSIGGLGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9(2)12-7-13(18-17-12)14(19)16-8-10-4-3-5-11(6-10)22(15,20)21/h3-7,9H,8H2,1-2H3,(H,16,19)(H,17,18)(H2,15,20,21).
What are the key properties of 5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide?
5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60509215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).