4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate

C13H21N3O4S — CID 65381478

IUPAC4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
SMILESCC(C)CCCOC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-8(2)4-3-7-20-13(17)11-12(21(14,18)19)10(15-16-11)9-5-6-9/h8-9H,3-7H2,1-2H3,(H,15,16)(H2,14,18,19)
InChIKeyYXLQWGGIUIDJCH-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.53
Rot. Bonds7

About 4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate

4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate (PubChem CID 65381478) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
PubChem CID65381478
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
SMILESCC(C)CCCOC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-8(2)4-3-7-20-13(17)11-12(21(14,18)19)10(15-16-11)9-5-6-9/h8-9H,3-7H2,1-2H3,(H,15,16)(H2,14,18,19)
InChIKeyYXLQWGGIUIDJCH-UHFFFAOYSA-N
XLogP1.53
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65382203
N-butyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375951
5-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389215
5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388559
pentyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65382504
N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373285
2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 106207163
4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
CID 62077945
5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465733
5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65375202
3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide
CID 65374240
N-cyclohexyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374364

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The IUPAC name of 4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate (CID 65381478) is 4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for 4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for 4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate is CC(C)CCCOC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O.
What is the InChIKey of 4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The InChIKey is YXLQWGGIUIDJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-8(2)4-3-7-20-13(17)11-12(21(14,18)19)10(15-16-11)9-5-6-9/h8-9H,3-7H2,1-2H3,(H,15,16)(H2,14,18,19).
What are the key properties of 4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate has a molecular weight of 315.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 65381478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).