4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

C19H14N4OS — CID 56931181

IUPAC4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1[nH]ncc1-c1ccccc1
InChIInChI=1S/C19H14N4OS/c24-18(17-15(11-20-23-17)13-7-3-1-4-8-13)22-19-21-16(12-25-19)14-9-5-2-6-10-14/h1-12H,(H,20,23)(H,21,22,24)
InChIKeyIDFYSEOLWGUWHB-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.45
Rot. Bonds4

About 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 56931181) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID56931181
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1[nH]ncc1-c1ccccc1
InChIInChI=1S/C19H14N4OS/c24-18(17-15(11-20-23-17)13-7-3-1-4-8-13)22-19-21-16(12-25-19)14-9-5-2-6-10-14/h1-12H,(H,20,23)(H,21,22,24)
InChIKeyIDFYSEOLWGUWHB-UHFFFAOYSA-N
XLogP4.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (CID 56931181) is 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1[nH]ncc1-c1ccccc1.
What is the InChIKey of 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is IDFYSEOLWGUWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-18(17-15(11-20-23-17)13-7-3-1-4-8-13)22-19-21-16(12-25-19)14-9-5-2-6-10-14/h1-12H,(H,20,23)(H,21,22,24).
What are the key properties of 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56931181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).