3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide

C14H25N3O3S — CID 75380279

IUPAC3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide
SMILESCCCC(C)S(=O)(=O)NC(=O)c1c(C)nn(CCC)c1C
InChIInChI=1S/C14H25N3O3S/c1-6-8-10(3)21(19,20)16-14(18)13-11(4)15-17(9-7-2)12(13)5/h10H,6-9H2,1-5H3,(H,16,18)
InChIKeyRUKHJNXHDUYUII-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.16
Rot. Bonds7

About 3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide

3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide (PubChem CID 75380279) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide
PubChem CID75380279
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide
SMILESCCCC(C)S(=O)(=O)NC(=O)c1c(C)nn(CCC)c1C
InChIInChI=1S/C14H25N3O3S/c1-6-8-10(3)21(19,20)16-14(18)13-11(4)15-17(9-7-2)12(13)5/h10H,6-9H2,1-5H3,(H,16,18)
InChIKeyRUKHJNXHDUYUII-UHFFFAOYSA-N
XLogP2.16
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide (CID 75380279) is 3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide is CCCC(C)S(=O)(=O)NC(=O)c1c(C)nn(CCC)c1C.
What is the InChIKey of 3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide?
The InChIKey is RUKHJNXHDUYUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-6-8-10(3)21(19,20)16-14(18)13-11(4)15-17(9-7-2)12(13)5/h10H,6-9H2,1-5H3,(H,16,18).
What are the key properties of 3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide?
3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-pentan-2-ylsulfonyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 75380279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).