1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

C19H14N4OS — CID 882594

IUPAC1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H14N4OS/c24-18(21-19-20-11-12-25-19)16-13-23(15-9-5-2-6-10-15)22-17(16)14-7-3-1-4-8-14/h1-13H,(H,20,21,24)
InChIKeyGJTHTRWTEGKEMF-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.25
Rot. Bonds4

About 1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 882594) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID882594
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H14N4OS/c24-18(21-19-20-11-12-25-19)16-13-23(15-9-5-2-6-10-15)22-17(16)14-7-3-1-4-8-14/h1-13H,(H,20,21,24)
InChIKeyGJTHTRWTEGKEMF-UHFFFAOYSA-N
XLogP4.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 882594) is 1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is GJTHTRWTEGKEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-18(21-19-20-11-12-25-19)16-13-23(15-9-5-2-6-10-15)22-17(16)14-7-3-1-4-8-14/h1-13H,(H,20,21,24).
What are the key properties of 1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 882594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).