5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride

C12H18ClN3O3S — CID 114551498

IUPAC5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
SMILESCCc1[nH]nc(C(=O)NC2CCC(C)C2)c1S(=O)(=O)Cl
InChIInChI=1S/C12H18ClN3O3S/c1-3-9-11(20(13,18)19)10(16-15-9)12(17)14-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeySOFVZGYSRWFFDW-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.82
Rot. Bonds4

About 5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride

5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride (PubChem CID 114551498) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
PubChem CID114551498
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
SMILESCCc1[nH]nc(C(=O)NC2CCC(C)C2)c1S(=O)(=O)Cl
InChIInChI=1S/C12H18ClN3O3S/c1-3-9-11(20(13,18)19)10(16-15-9)12(17)14-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeySOFVZGYSRWFFDW-UHFFFAOYSA-N
XLogP1.82
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 82736008
3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367058
3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 65395863
3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 65372466
3-(oxolan-3-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 80715856
5-ethyl-3-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 107421001
5-ethyl-3-(3-ethylpentan-3-ylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65397482
5-ethyl-3-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372389
5-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65396671
5-ethyl-N-(oxolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 80715628
N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 114551581
5-ethyl-3-(2,3,3-trimethylbutylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 83145354

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride (CID 114551498) is 5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride is CCc1[nH]nc(C(=O)NC2CCC(C)C2)c1S(=O)(=O)Cl.
What is the InChIKey of 5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is SOFVZGYSRWFFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-3-9-11(20(13,18)19)10(16-15-9)12(17)14-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 319.81 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 114551498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).