1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

C13H24N4O3S — CID 70776595

IUPAC1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCN(C)S(C)(=O)=O)n(C)n1
InChIInChI=1S/C13H24N4O3S/c1-10(2)8-11-9-12(17(4)15-11)13(18)14-6-7-16(3)21(5,19)20/h9-10H,6-8H2,1-5H3,(H,14,18)
InChIKeyZNIMWDYJWLLLIR-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.24
Rot. Bonds7

About 1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70776595) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70776595
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCN(C)S(C)(=O)=O)n(C)n1
InChIInChI=1S/C13H24N4O3S/c1-10(2)8-11-9-12(17(4)15-11)13(18)14-6-7-16(3)21(5,19)20/h9-10H,6-8H2,1-5H3,(H,14,18)
InChIKeyZNIMWDYJWLLLIR-UHFFFAOYSA-N
XLogP0.24
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70776595) is 1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)NCCN(C)S(C)(=O)=O)n(C)n1.
What is the InChIKey of 1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is ZNIMWDYJWLLLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-10(2)8-11-9-12(17(4)15-11)13(18)14-6-7-16(3)21(5,19)20/h9-10H,6-8H2,1-5H3,(H,14,18).
What are the key properties of 1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70776595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).