(1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone

C26H18N2OS — CID 14000361

IUPAC(1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)c(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C26H18N2OS/c29-26(20-13-6-2-7-14-20)25-23(19-11-4-1-5-12-19)24(22-17-10-18-30-22)27-28(25)21-15-8-3-9-16-21/h1-18H
InChIKeyOMBHLLVWDOTOSW-UHFFFAOYSA-N
MW406.51 g/mol
LogP6.50
Rot. Bonds5

About (1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone

(1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone (PubChem CID 14000361) has the molecular formula C26H18N2OS and a molecular weight of 406.51 g/mol. Its IUPAC name is (1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone
PubChem CID14000361
Molecular FormulaC26H18N2OS
Molecular Weight406.51 g/mol
Exact Mass406.11
IUPAC Name(1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)c(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C26H18N2OS/c29-26(20-13-6-2-7-14-20)25-23(19-11-4-1-5-12-19)24(22-17-10-18-30-22)27-28(25)21-15-8-3-9-16-21/h1-18H
InChIKeyOMBHLLVWDOTOSW-UHFFFAOYSA-N
XLogP6.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile
CID 14000355
2-phenyl-4-thiophen-2-ylphthalazin-1-one
CID 4053882
4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one
CID 12964793
(2,5-diphenyltriazol-4-yl)-phenylmethanone
CID 13297593
1-phenyl-6-prop-2-enyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxylic acid
CID 38997207
(3,5-diamino-4-thiophen-2-ylphenyl)-phenylmethanone
CID 174504701
phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone
CID 102408721
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
CID 46384026
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
CID 71481537
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16550695

Frequently Asked Questions

What is the IUPAC name of (1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone?
The IUPAC name of (1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone (CID 14000361) is (1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone.
What is the SMILES notation for (1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone?
The canonical SMILES for (1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone is O=C(c1ccccc1)c1c(-c2ccccc2)c(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of (1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone?
The InChIKey is OMBHLLVWDOTOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2OS/c29-26(20-13-6-2-7-14-20)25-23(19-11-4-1-5-12-19)24(22-17-10-18-30-22)27-28(25)21-15-8-3-9-16-21/h1-18H.
What are the key properties of (1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone?
(1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone has a molecular weight of 406.51 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone is sourced from PubChem (CID 14000361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).