5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride

C11H14ClN3O3S — CID 65372957

IUPAC5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
SMILESO=C(NCC1CC1)c1n[nH]c(C2CC2)c1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClN3O3S/c12-19(17,18)10-8(7-3-4-7)14-15-9(10)11(16)13-5-6-1-2-6/h6-7H,1-5H2,(H,13,16)(H,14,15)
InChIKeyVBLUEGUZYBUTME-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.35
Rot. Bonds5

About 5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride

5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65372957) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is 5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
PubChem CID65372957
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Name5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
SMILESO=C(NCC1CC1)c1n[nH]c(C2CC2)c1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClN3O3S/c12-19(17,18)10-8(7-3-4-7)14-15-9(10)11(16)13-5-6-1-2-6/h6-7H,1-5H2,(H,13,16)(H,14,15)
InChIKeyVBLUEGUZYBUTME-UHFFFAOYSA-N
XLogP1.35
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-3-(2-methoxypropylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 102701092
5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65371164
3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 65372466
5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465733
5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388559
N-butyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375951
5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65382003
5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65382203
2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 115729691
5-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389215
5-ethyl-3-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 107421001
N-cyclohexyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374364

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride (CID 65372957) is 5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride is O=C(NCC1CC1)c1n[nH]c(C2CC2)c1S(=O)(=O)Cl.
What is the InChIKey of 5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is VBLUEGUZYBUTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c12-19(17,18)10-8(7-3-4-7)14-15-9(10)11(16)13-5-6-1-2-6/h6-7H,1-5H2,(H,13,16)(H,14,15).
What are the key properties of 5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride?
5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 303.77 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65372957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).