N-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide

C17H17N5OS — CID 134328411

IUPACN-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide
SMILESCc1nnc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)s1
InChIInChI=1S/C17H17N5OS/c1-10-3-4-12(16(23)19-14-5-6-14)7-15(10)13-8-18-22(9-13)17-21-20-11(2)24-17/h3-4,7-9,14H,5-6H2,1-2H3,(H,19,23)
InChIKeyWKYRXQQUXWVKKL-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.90
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide (PubChem CID 134328411) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide
PubChem CID134328411
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide
SMILESCc1nnc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)s1
InChIInChI=1S/C17H17N5OS/c1-10-3-4-12(16(23)19-14-5-6-14)7-15(10)13-8-18-22(9-13)17-21-20-11(2)24-17/h3-4,7-9,14H,5-6H2,1-2H3,(H,19,23)
InChIKeyWKYRXQQUXWVKKL-UHFFFAOYSA-N
XLogP2.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide 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-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide (CID 134328411) is N-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide is Cc1nnc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)s1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide?
The InChIKey is WKYRXQQUXWVKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-10-3-4-12(16(23)19-14-5-6-14)7-15(10)13-8-18-22(9-13)17-21-20-11(2)24-17/h3-4,7-9,14H,5-6H2,1-2H3,(H,19,23).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide has a molecular weight of 339.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).