3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride

C13H20ClN3O3S — CID 65367058

IUPAC3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)NC2CCCCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C13H20ClN3O3S/c1-2-6-10-12(21(14,19)20)11(17-16-10)13(18)15-9-7-4-3-5-8-9/h9H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyAWSQGHZPVZUPSH-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.35
Rot. Bonds5

About 3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride

3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65367058) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
PubChem CID65367058
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)NC2CCCCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C13H20ClN3O3S/c1-2-6-10-12(21(14,19)20)11(17-16-10)13(18)15-9-7-4-3-5-8-9/h9H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyAWSQGHZPVZUPSH-UHFFFAOYSA-N
XLogP2.35
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 80715856
5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 114551498
3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65371335
3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367198
3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 113304100
3-(butan-2-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65368759
3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 104766638
3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 65372466
3-(2,3-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65396132
3-[cyclopropyl(propyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65370323
5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 82736008
3-[(4,4-dimethylcyclohexyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65398616

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride (CID 65367058) is 3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride is CCCc1[nH]nc(C(=O)NC2CCCCC2)c1S(=O)(=O)Cl.
What is the InChIKey of 3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is AWSQGHZPVZUPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-2-6-10-12(21(14,19)20)11(17-16-10)13(18)15-9-7-4-3-5-8-9/h9H,2-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 333.84 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65367058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).