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

C18H13N5OS — CID 882633

IUPAC1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C18H13N5OS/c24-17(21-18-20-9-10-25-18)15-12-23(14-6-2-1-3-7-14)22-16(15)13-5-4-8-19-11-13/h1-12H,(H,20,21,24)
InChIKeyPMKLNFPSHANPNW-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.64
Rot. Bonds4

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

1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 882633) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID882633
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C18H13N5OS/c24-17(21-18-20-9-10-25-18)15-12-23(14-6-2-1-3-7-14)22-16(15)13-5-4-8-19-11-13/h1-12H,(H,20,21,24)
InChIKeyPMKLNFPSHANPNW-UHFFFAOYSA-N
XLogP3.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 882633) is 1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is PMKLNFPSHANPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c24-17(21-18-20-9-10-25-18)15-12-23(14-6-2-1-3-7-14)22-16(15)13-5-4-8-19-11-13/h1-12H,(H,20,21,24).
What are the key properties of 1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyridin-3-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 882633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).