3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride

C13H20ClN3O3S — CID 65396865

IUPAC3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
SMILESCC(C)c1[nH]nc(C(=O)N(C)CC2CC2C)c1S(=O)(=O)Cl
InChIInChI=1S/C13H20ClN3O3S/c1-7(2)10-12(21(14,19)20)11(16-15-10)13(18)17(4)6-9-5-8(9)3/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyQFUKVMJHXBMWFK-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.19
Rot. Bonds5

About 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride

3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65396865) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
PubChem CID65396865
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
SMILESCC(C)c1[nH]nc(C(=O)N(C)CC2CC2C)c1S(=O)(=O)Cl
InChIInChI=1S/C13H20ClN3O3S/c1-7(2)10-12(21(14,19)20)11(16-15-10)13(18)17(4)6-9-5-8(9)3/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyQFUKVMJHXBMWFK-UHFFFAOYSA-N
XLogP2.19
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopropylmethyl(methyl)carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65372701
3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65397057
3-(diethylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65368456
5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387338
4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 63878192
5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65371164
3-(2,3-dimethylbutylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65395941
3-(3-methoxypropylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65368308
N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389011
3-(pentylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65369045
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 63688273
3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65367147

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride (CID 65396865) is 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride is CC(C)c1[nH]nc(C(=O)N(C)CC2CC2C)c1S(=O)(=O)Cl.
What is the InChIKey of 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is QFUKVMJHXBMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-7(2)10-12(21(14,19)20)11(16-15-10)13(18)17(4)6-9-5-8(9)3/h7-9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride?
3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 333.84 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65396865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).