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

C25H18N4OS — CID 3057628

IUPACN-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C25H18N4OS/c30-24(20-14-8-3-9-15-20)27-23-16-21(18-10-4-1-5-11-18)28-29(23)25-26-22(17-31-25)19-12-6-2-7-13-19/h1-17H,(H,27,30)
InChIKeyPKVYTRCQXPBNNN-UHFFFAOYSA-N
MW422.51 g/mol
LogP5.92
Rot. Bonds5

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

N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide (PubChem CID 3057628) has the molecular formula C25H18N4OS and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide
PubChem CID3057628
Molecular FormulaC25H18N4OS
Molecular Weight422.51 g/mol
Exact Mass422.12
IUPAC NameN-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C25H18N4OS/c30-24(20-14-8-3-9-15-20)27-23-16-21(18-10-4-1-5-11-18)28-29(23)25-26-22(17-31-25)19-12-6-2-7-13-19/h1-17H,(H,27,30)
InChIKeyPKVYTRCQXPBNNN-UHFFFAOYSA-N
XLogP5.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11152155
N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 2230879
4-(5-Methyl-1H-pyrazol-3-ylamino)-2-(2-methylthiazol-4-ylmethyl)-2H-phthalazin-1-one
CID 11653244
(2E,4E)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-4-methyl-5-phenyl-penta-2,4-dien-1-one
CID 5466653
1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-phenyl-2-propen-1-one
CID 5884626
N-{4'-methyl-2-[(2-phenylethyl)amino]-4,5'-bi-1,3-thiazol-2'-yl}benzamide
CID 1300179
N-(1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
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N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2354013
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2439795
N-(4-(2-(phenylamino)thiazol-4-yl)phenyl)benzamide
CID 3610835
N,1-dibenzyl-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-3-carboxamide
CID 46221409
N-[5-(2-Ethyl-2H-tetrazol-5-yl)-4-phenyl-thiazol-2-yl]-benzamide
CID 49864319

Frequently Asked Questions

What is the IUPAC name of N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide?
The IUPAC name of N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide (CID 3057628) is N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1)c1ccccc1.
What is the InChIKey of N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide?
The InChIKey is PKVYTRCQXPBNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4OS/c30-24(20-14-8-3-9-15-20)27-23-16-21(18-10-4-1-5-11-18)28-29(23)25-26-22(17-31-25)19-12-6-2-7-13-19/h1-17H,(H,27,30).
What are the key properties of N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide?
N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide has a molecular weight of 422.51 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 3057628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).