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

C13H20ClN3O3S — CID 65397057

IUPAC3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)N(C)CC2CC2C)c1S(=O)(=O)Cl
InChIInChI=1S/C13H20ClN3O3S/c1-4-5-10-12(21(14,19)20)11(16-15-10)13(18)17(3)7-9-6-8(9)2/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyWAVVOAJWZKXQKZ-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.02
Rot. Bonds6

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

3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65397057) 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-propyl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
PubChem CID65397057
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)N(C)CC2CC2C)c1S(=O)(=O)Cl
InChIInChI=1S/C13H20ClN3O3S/c1-4-5-10-12(21(14,19)20)11(16-15-10)13(18)17(3)7-9-6-8(9)2/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyWAVVOAJWZKXQKZ-UHFFFAOYSA-N
XLogP2.02
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65396865
3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65371724
3-[cyclopropyl(propyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65370323
5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387338
3-[cyclopropylmethyl(methyl)carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65372701
4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 63878192
3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 113304100
3-(2,2-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 103465535
3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367198
oxetan-3-yl 4-chlorosulfonyl-5-propyl-1H-pyrazole-3-carboxylate
CID 102608587
3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367058
5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65371164

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride (CID 65397057) is 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride is CCCc1[nH]nc(C(=O)N(C)CC2CC2C)c1S(=O)(=O)Cl.
What is the InChIKey of 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is WAVVOAJWZKXQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-4-5-10-12(21(14,19)20)11(16-15-10)13(18)17(3)7-9-6-8(9)2/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride?
3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 333.84 g/mol, XLogP of 2.02, 6 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-propyl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65397057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).