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

C23H20N4OS — CID 134328573

IUPACN-cyclopropyl-4-methyl-3-[1-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C23H20N4OS/c1-15-7-8-17(22(28)26-19-9-10-19)11-20(15)18-12-25-27(14-18)21-13-24-23(29-21)16-5-3-2-4-6-16/h2-8,11-14,19H,9-10H2,1H3,(H,26,28)
InChIKeyCZNVVNITVHDADS-UHFFFAOYSA-N
MW400.51 g/mol
LogP4.86
Rot. Bonds5

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

N-cyclopropyl-4-methyl-3-[1-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide (PubChem CID 134328573) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
PubChem CID134328573
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC NameN-cyclopropyl-4-methyl-3-[1-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C23H20N4OS/c1-15-7-8-17(22(28)26-19-9-10-19)11-20(15)18-12-25-27(14-18)21-13-24-23(29-21)16-5-3-2-4-6-16/h2-8,11-14,19H,9-10H2,1H3,(H,26,28)
InChIKeyCZNVVNITVHDADS-UHFFFAOYSA-N
XLogP4.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 54.86
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-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide (CID 134328573) is N-cyclopropyl-4-methyl-3-[1-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(-c3ccccc3)s2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The InChIKey is CZNVVNITVHDADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-15-7-8-17(22(28)26-19-9-10-19)11-20(15)18-12-25-27(14-18)21-13-24-23(29-21)16-5-3-2-4-6-16/h2-8,11-14,19H,9-10H2,1H3,(H,26,28).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide has a molecular weight of 400.51 g/mol, XLogP of 4.86, 5 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-(2-phenyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).