5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

C18H18N4OS — CID 37022263

IUPAC5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1csc(NC(=O)c2cnn(-c3ccccc3C)c2C2CC2)n1
InChIInChI=1S/C18H18N4OS/c1-11-5-3-4-6-15(11)22-16(13-7-8-13)14(9-19-22)17(23)21-18-20-12(2)10-24-18/h3-6,9-10,13H,7-8H2,1-2H3,(H,20,21,23)
InChIKeyUEFYEWGVZCZTHR-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.08
Rot. Bonds4

About 5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 37022263) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID37022263
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1csc(NC(=O)c2cnn(-c3ccccc3C)c2C2CC2)n1
InChIInChI=1S/C18H18N4OS/c1-11-5-3-4-6-15(11)22-16(13-7-8-13)14(9-19-22)17(23)21-18-20-12(2)10-24-18/h3-6,9-10,13H,7-8H2,1-2H3,(H,20,21,23)
InChIKeyUEFYEWGVZCZTHR-UHFFFAOYSA-N
XLogP4.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 37022263) is 5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is Cc1csc(NC(=O)c2cnn(-c3ccccc3C)c2C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is UEFYEWGVZCZTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-11-5-3-4-6-15(11)22-16(13-7-8-13)14(9-19-22)17(23)21-18-20-12(2)10-24-18/h3-6,9-10,13H,7-8H2,1-2H3,(H,20,21,23).
What are the key properties of 5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 37022263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).