5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide

C14H25N3O3S — CID 77081118

IUPAC5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCCS(=O)(=O)CC(C)C)c1C
InChIInChI=1S/C14H25N3O3S/c1-5-7-17-12(4)13(9-16-17)14(18)15-6-8-21(19,20)10-11(2)3/h9,11H,5-8,10H2,1-4H3,(H,15,18)
InChIKeyJIBXYIQUPDOIBD-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.40
Rot. Bonds8

About 5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide

5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide (PubChem CID 77081118) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide
PubChem CID77081118
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCCS(=O)(=O)CC(C)C)c1C
InChIInChI=1S/C14H25N3O3S/c1-5-7-17-12(4)13(9-16-17)14(18)15-6-8-21(19,20)10-11(2)3/h9,11H,5-8,10H2,1-4H3,(H,15,18)
InChIKeyJIBXYIQUPDOIBD-UHFFFAOYSA-N
XLogP1.40
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide (CID 77081118) is 5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NCCS(=O)(=O)CC(C)C)c1C.
What is the InChIKey of 5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is JIBXYIQUPDOIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-5-7-17-12(4)13(9-16-17)14(18)15-6-8-21(19,20)10-11(2)3/h9,11H,5-8,10H2,1-4H3,(H,15,18).
What are the key properties of 5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide?
5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylpropylsulfonyl)ethyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 77081118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).