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

C17H16N4OS — CID 134328537

IUPACN-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncs2)c1
InChIInChI=1S/C17H16N4OS/c1-11-2-3-12(17(22)20-14-4-5-14)6-15(11)13-7-19-21(9-13)16-8-18-10-23-16/h2-3,6-10,14H,4-5H2,1H3,(H,20,22)
InChIKeyYFYKSIVHSOHTNK-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.20
Rot. Bonds4

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

N-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide (PubChem CID 134328537) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
PubChem CID134328537
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncs2)c1
InChIInChI=1S/C17H16N4OS/c1-11-2-3-12(17(22)20-14-4-5-14)6-15(11)13-7-19-21(9-13)16-8-18-10-23-16/h2-3,6-10,14H,4-5H2,1H3,(H,20,22)
InChIKeyYFYKSIVHSOHTNK-UHFFFAOYSA-N
XLogP3.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide (CID 134328537) is N-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncs2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The InChIKey is YFYKSIVHSOHTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-11-2-3-12(17(22)20-14-4-5-14)6-15(11)13-7-19-21(9-13)16-8-18-10-23-16/h2-3,6-10,14H,4-5H2,1H3,(H,20,22).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide has a molecular weight of 324.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-(1,3-thiazol-5-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).