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

C12H16ClN3O3S — CID 65398428

IUPAC3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
SMILESCc1[nH]nc(C(=O)N(CC2CC2)C2CC2)c1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClN3O3S/c1-7-11(20(13,18)19)10(15-14-7)12(17)16(9-4-5-9)6-8-2-3-8/h8-9H,2-6H2,1H3,(H,14,15)
InChIKeyBSBREXODIUYIRG-UHFFFAOYSA-N
MW317.80 g/mol
LogP1.66
Rot. Bonds5

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

3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65398428) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
PubChem CID65398428
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
SMILESCc1[nH]nc(C(=O)N(CC2CC2)C2CC2)c1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClN3O3S/c1-7-11(20(13,18)19)10(15-14-7)12(17)16(9-4-5-9)6-8-2-3-8/h8-9H,2-6H2,1H3,(H,14,15)
InChIKeyBSBREXODIUYIRG-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65371068
3-[cyclopropylmethyl(methyl)carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65372701
5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65371164
3-[cyclopropyl(propyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65370323
3-[butan-2-yl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65371867
N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386491
3-[3-methoxypropyl(methyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65398569
cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate
CID 65397527
oxan-4-ylmethyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate
CID 65373370
5-methyl-3-(2-methylsulfonylethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65370769
3-[cyclobutylmethyl(ethyl)carbamoyl]-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 107402583
N-cyclopropyl-3,5-dimethyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 79721385

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride (CID 65398428) is 3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride is Cc1[nH]nc(C(=O)N(CC2CC2)C2CC2)c1S(=O)(=O)Cl.
What is the InChIKey of 3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is BSBREXODIUYIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c1-7-11(20(13,18)19)10(15-14-7)12(17)16(9-4-5-9)6-8-2-3-8/h8-9H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride?
3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 317.80 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(cyclopropylmethyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65398428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).