3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride

C9H12ClF2N3O3S — CID 113304100

IUPAC3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)NCC(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C9H12ClF2N3O3S/c1-2-3-5-8(19(10,17)18)7(15-14-5)9(16)13-4-6(11)12/h6H,2-4H2,1H3,(H,13,16)(H,14,15)
InChIKeyWFVLFZGJUWCKJD-UHFFFAOYSA-N
MW315.73 g/mol
LogP1.28
Rot. Bonds6

About 3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride

3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 113304100) has the molecular formula C9H12ClF2N3O3S and a molecular weight of 315.73 g/mol. Its IUPAC name is 3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
PubChem CID113304100
Molecular FormulaC9H12ClF2N3O3S
Molecular Weight315.73 g/mol
Exact Mass315.03
IUPAC Name3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)NCC(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C9H12ClF2N3O3S/c1-2-3-5-8(19(10,17)18)7(15-14-5)9(16)13-4-6(11)12/h6H,2-4H2,1H3,(H,13,16)(H,14,15)
InChIKeyWFVLFZGJUWCKJD-UHFFFAOYSA-N
XLogP1.28
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2,2-difluoroethylcarbamoyl)-5-propyl-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-(2,3-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65396132
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
3-(2,2-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 103465535
3-(butan-2-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65368759
3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65371335
3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 104766638
3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367058
5-ethyl-3-(2,3,3-trimethylbutylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 83145354
N-ethyl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373266
3-[cyclopropyl(propyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65370323
3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65371724
3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367198

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride (CID 113304100) is 3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride is CCCc1[nH]nc(C(=O)NCC(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is WFVLFZGJUWCKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2N3O3S/c1-2-3-5-8(19(10,17)18)7(15-14-5)9(16)13-4-6(11)12/h6H,2-4H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 315.73 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 113304100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).