3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride

C12H18ClN3O3S — CID 65372466

IUPAC3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCc1[nH]nc(C(=O)NCC2CCCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C12H18ClN3O3S/c1-2-9-11(20(13,18)19)10(16-15-9)12(17)14-7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyNZNGHCFEZQQFAH-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.82
Rot. Bonds5

About 3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride

3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65372466) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
PubChem CID65372466
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCc1[nH]nc(C(=O)NCC2CCCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C12H18ClN3O3S/c1-2-9-11(20(13,18)19)10(16-15-9)12(17)14-7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyNZNGHCFEZQQFAH-UHFFFAOYSA-N
XLogP1.82
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-methylcyclopentyl)methylcarbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 107421001
3-[cyclobutylmethyl(ethyl)carbamoyl]-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 107402583
5-ethyl-3-(3-ethylpentan-3-ylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65397482
5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372957
5-ethyl-3-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372389
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
5-ethyl-3-(2,3,3-trimethylbutylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 83145354
2-methoxyethyl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 65373730
oxetan-3-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 102608546
cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 66324440
3-(2,2-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 103465535

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride (CID 65372466) is 3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride is CCc1[nH]nc(C(=O)NCC2CCCC2)c1S(=O)(=O)Cl.
What is the InChIKey of 3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is NZNGHCFEZQQFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-2-9-11(20(13,18)19)10(16-15-9)12(17)14-7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride?
3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 319.81 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65372466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).