3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride

C9H12ClN3O3S — CID 65371068

IUPAC3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
SMILESCc1[nH]nc(C(=O)N(C)C2CC2)c1S(=O)(=O)Cl
InChIInChI=1S/C9H12ClN3O3S/c1-5-8(17(10,15)16)7(12-11-5)9(14)13(2)6-3-4-6/h6H,3-4H2,1-2H3,(H,11,12)
InChIKeyYKWJEKGJYFHLAQ-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.88
Rot. Bonds3

About 3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride

3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65371068) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
PubChem CID65371068
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
SMILESCc1[nH]nc(C(=O)N(C)C2CC2)c1S(=O)(=O)Cl
InChIInChI=1S/C9H12ClN3O3S/c1-5-8(17(10,15)16)7(12-11-5)9(14)13(2)6-3-4-6/h6H,3-4H2,1-2H3,(H,11,12)
InChIKeyYKWJEKGJYFHLAQ-UHFFFAOYSA-N
XLogP0.88
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride 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

3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65398428
3-[butan-2-yl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65371867
cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate
CID 65397527
3-[(4,4-dimethylcyclohexyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65398616
3-[3-methoxypropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65398569
3-(azepane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65367872
5-methyl-3-(2-methylsulfonylethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65370769
3-[cyclopropyl(propyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65370323
3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride
CID 65371645
oxan-4-ylmethyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate
CID 65373370
N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386491
5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65371164

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride (CID 65371068) is 3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride is Cc1[nH]nc(C(=O)N(C)C2CC2)c1S(=O)(=O)Cl.
What is the InChIKey of 3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is YKWJEKGJYFHLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c1-5-8(17(10,15)16)7(12-11-5)9(14)13(2)6-3-4-6/h6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride?
3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 277.73 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65371068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).