3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide

C18H20N4OS2 — CID 110221950

IUPAC3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide
SMILESCc1csc(C(Cc2ccsc2)NC(=O)c2cc(C3CC3)nn2C)n1
InChIInChI=1S/C18H20N4OS2/c1-11-9-25-18(19-11)15(7-12-5-6-24-10-12)20-17(23)16-8-14(13-3-4-13)21-22(16)2/h5-6,8-10,13,15H,3-4,7H2,1-2H3,(H,20,23)
InChIKeyZLDOMEJIBWOYND-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.84
Rot. Bonds6

About 3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide

3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide (PubChem CID 110221950) has the molecular formula C18H20N4OS2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide
PubChem CID110221950
Molecular FormulaC18H20N4OS2
Molecular Weight372.52 g/mol
Exact Mass372.11
IUPAC Name3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide
SMILESCc1csc(C(Cc2ccsc2)NC(=O)c2cc(C3CC3)nn2C)n1
InChIInChI=1S/C18H20N4OS2/c1-11-9-25-18(19-11)15(7-12-5-6-24-10-12)20-17(23)16-8-14(13-3-4-13)21-22(16)2/h5-6,8-10,13,15H,3-4,7H2,1-2H3,(H,20,23)
InChIKeyZLDOMEJIBWOYND-UHFFFAOYSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-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-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide (CID 110221950) is 3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide is Cc1csc(C(Cc2ccsc2)NC(=O)c2cc(C3CC3)nn2C)n1.
What is the InChIKey of 3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide?
The InChIKey is ZLDOMEJIBWOYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS2/c1-11-9-25-18(19-11)15(7-12-5-6-24-10-12)20-17(23)16-8-14(13-3-4-13)21-22(16)2/h5-6,8-10,13,15H,3-4,7H2,1-2H3,(H,20,23).
What are the key properties of 3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide?
3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 110221950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).