3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

C13H10N4OS — CID 14617322

IUPAC3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C13H10N4OS/c18-12(15-13-14-6-7-19-13)11-8-10(16-17-11)9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,14,15,18)
InChIKeyWXYYFTWEZISURC-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.79
Rot. Bonds3

About 3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 14617322) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID14617322
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C13H10N4OS/c18-12(15-13-14-6-7-19-13)11-8-10(16-17-11)9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,14,15,18)
InChIKeyWXYYFTWEZISURC-UHFFFAOYSA-N
XLogP2.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (CID 14617322) is 3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is O=C(Nc1nccs1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is WXYYFTWEZISURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c18-12(15-13-14-6-7-19-13)11-8-10(16-17-11)9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,14,15,18).
What are the key properties of 3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 14617322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).