2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid

C25H17N3O2S — CID 118727567

IUPAC2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cn(-c3ccccc3)nc2-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H17N3O2S/c29-25(30)23-22(18-12-6-2-7-13-18)26-24(31-23)20-16-28(19-14-8-3-9-15-19)27-21(20)17-10-4-1-5-11-17/h1-16H,(H,29,30)
InChIKeyDMWKGHAOYSKCGP-UHFFFAOYSA-N
MW423.50 g/mol
LogP6.03
Rot. Bonds5

About 2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid

2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 118727567) has the molecular formula C25H17N3O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID118727567
Molecular FormulaC25H17N3O2S
Molecular Weight423.50 g/mol
Exact Mass423.10
IUPAC Name2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cn(-c3ccccc3)nc2-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H17N3O2S/c29-25(30)23-22(18-12-6-2-7-13-18)26-24(31-23)20-16-28(19-14-8-3-9-15-19)27-21(20)17-10-4-1-5-11-17/h1-16H,(H,29,30)
InChIKeyDMWKGHAOYSKCGP-UHFFFAOYSA-N
XLogP6.03
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.50
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-diphenylpyrazol-4-yl)-1,3-benzothiazole
CID 46870644
ethyl 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 118727560
1,3,4-triphenylpyrazole
CID 555882
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 131954927
2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 136889078
2-iodo-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 58016057
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 71732963
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010
4-(4-bromophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole
CID 71732867
2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 94970678

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid (CID 118727567) is 2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2cn(-c3ccccc3)nc2-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DMWKGHAOYSKCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2S/c29-25(30)23-22(18-12-6-2-7-13-18)26-24(31-23)20-16-28(19-14-8-3-9-15-19)27-21(20)17-10-4-1-5-11-17/h1-16H,(H,29,30).
What are the key properties of 2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 423.50 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 118727567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).