1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide

C7H12ClN3O2S — CID 104621218

IUPAC1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)CCl)n[nH]1
InChIInChI=1S/C7H12ClN3O2S/c1-5(2)6-3-7(10-9-6)11-14(12,13)4-8/h3,5H,4H2,1-2H3,(H2,9,10,11)
InChIKeyFJQOWIXHIQDMGJ-UHFFFAOYSA-N
MW237.71 g/mol
LogP1.47
Rot. Bonds4

About 1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide

1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 104621218) has the molecular formula C7H12ClN3O2S and a molecular weight of 237.71 g/mol. Its IUPAC name is 1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID104621218
Molecular FormulaC7H12ClN3O2S
Molecular Weight237.71 g/mol
Exact Mass237.03
IUPAC Name1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)CCl)n[nH]1
InChIInChI=1S/C7H12ClN3O2S/c1-5(2)6-3-7(10-9-6)11-14(12,13)4-8/h3,5H,4H2,1-2H3,(H2,9,10,11)
InChIKeyFJQOWIXHIQDMGJ-UHFFFAOYSA-N
XLogP1.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide
CID 112699300
1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620764
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616923
5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 104619455
3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole
CID 104620778
2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686449
3-amino-5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616959
5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104617733
3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112697809
3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686443
5-amino-2,4-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616943
N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 97097944

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide (CID 104621218) is 1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide is CC(C)c1cc(NS(=O)(=O)CCl)n[nH]1.
What is the InChIKey of 1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is FJQOWIXHIQDMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O2S/c1-5(2)6-3-7(10-9-6)11-14(12,13)4-8/h3,5H,4H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide?
1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 237.71 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 104621218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).