N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide

C14H20N4OS — CID 72927235

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCc2nc(C)c(C)s2)c(C)n1
InChIInChI=1S/C14H20N4OS/c1-5-6-18-8-12(10(3)17-18)14(19)15-7-13-16-9(2)11(4)20-13/h8H,5-7H2,1-4H3,(H,15,19)
InChIKeyJEPDBBQOCQLSCC-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.60
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 72927235) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide
PubChem CID72927235
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCc2nc(C)c(C)s2)c(C)n1
InChIInChI=1S/C14H20N4OS/c1-5-6-18-8-12(10(3)17-18)14(19)15-7-13-16-9(2)11(4)20-13/h8H,5-7H2,1-4H3,(H,15,19)
InChIKeyJEPDBBQOCQLSCC-UHFFFAOYSA-N
XLogP2.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-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 N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide (CID 72927235) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NCc2nc(C)c(C)s2)c(C)n1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is JEPDBBQOCQLSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-5-6-18-8-12(10(3)17-18)14(19)15-7-13-16-9(2)11(4)20-13/h8H,5-7H2,1-4H3,(H,15,19).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72927235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).