5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride

C12H16ClN3O3S — CID 65371164

IUPAC5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
SMILESCN(CC1CC1)C(=O)c1n[nH]c(C2CC2)c1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClN3O3S/c1-16(6-7-2-3-7)12(17)10-11(20(13,18)19)9(14-15-10)8-4-5-8/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyFBROVOMYGCZSNX-UHFFFAOYSA-N
MW317.80 g/mol
LogP1.70
Rot. Bonds5

About 5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride

5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65371164) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
PubChem CID65371164
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
SMILESCN(CC1CC1)C(=O)c1n[nH]c(C2CC2)c1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClN3O3S/c1-16(6-7-2-3-7)12(17)10-11(20(13,18)19)9(14-15-10)8-4-5-8/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyFBROVOMYGCZSNX-UHFFFAOYSA-N
XLogP1.70
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389215
3-[cyclopropylmethyl(methyl)carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65372701
5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372957
5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387338
N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373285
3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65398428
5-cyclopropyl-3-(2-methoxypropylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 102701092
3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65396865
4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 47374540
3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65397057
3-[cyclobutylmethyl(ethyl)carbamoyl]-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 107402583
5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 65367180

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride (CID 65371164) is 5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride is CN(CC1CC1)C(=O)c1n[nH]c(C2CC2)c1S(=O)(=O)Cl.
What is the InChIKey of 5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is FBROVOMYGCZSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c1-16(6-7-2-3-7)12(17)10-11(20(13,18)19)9(14-15-10)8-4-5-8/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 317.80 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65371164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).