N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide

C12H23N3O2S — CID 131912690

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCc1c(C)n[nH]c1C
InChIInChI=1S/C12H23N3O2S/c1-5-9-18(16,17)15(4)8-6-7-12-10(2)13-14-11(12)3/h5-9H2,1-4H3,(H,13,14)
InChIKeySXOLKUCATBIAPW-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.63
Rot. Bonds7

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide (PubChem CID 131912690) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide
PubChem CID131912690
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCc1c(C)n[nH]c1C
InChIInChI=1S/C12H23N3O2S/c1-5-9-18(16,17)15(4)8-6-7-12-10(2)13-14-11(12)3/h5-9H2,1-4H3,(H,13,14)
InChIKeySXOLKUCATBIAPW-UHFFFAOYSA-N
XLogP1.63
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide (CID 131912690) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)CCCc1c(C)n[nH]c1C.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide?
The InChIKey is SXOLKUCATBIAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-5-9-18(16,17)15(4)8-6-7-12-10(2)13-14-11(12)3/h5-9H2,1-4H3,(H,13,14).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 131912690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).