2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine

C23H20N4S — CID 15415647

IUPAC2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine
SMILESc1ccc(-c2nn(-c3ccccc3)c(-c3cccs3)c2C2=NCCCN2)cc1
InChIInChI=1S/C23H20N4S/c1-3-9-17(10-4-1)21-20(23-24-14-8-15-25-23)22(19-13-7-16-28-19)27(26-21)18-11-5-2-6-12-18/h1-7,9-13,16H,8,14-15H2,(H,24,25)
InChIKeyRRSCSVJEUDFLAL-UHFFFAOYSA-N
MW384.51 g/mol
LogP5.01
Rot. Bonds4

About 2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine

2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 15415647) has the molecular formula C23H20N4S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine
PubChem CID15415647
Molecular FormulaC23H20N4S
Molecular Weight384.51 g/mol
Exact Mass384.14
IUPAC Name2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine
SMILESc1ccc(-c2nn(-c3ccccc3)c(-c3cccs3)c2C2=NCCCN2)cc1
InChIInChI=1S/C23H20N4S/c1-3-9-17(10-4-1)21-20(23-24-14-8-15-25-23)22(19-13-7-16-28-19)27(26-21)18-11-5-2-6-12-18/h1-7,9-13,16H,8,14-15H2,(H,24,25)
InChIKeyRRSCSVJEUDFLAL-UHFFFAOYSA-N
XLogP5.01
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]amino}-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 9583952
CID 2998304
CID 2998304
2-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine
CID 4792479
2,4-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline
CID 6623236
6-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-4-(2-thienyl)-1H-pyrimidine-2-thione
CID 57394190
4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide
CID 155540992
3-(4-methylphenyl)-1-phenyl-4-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole
CID 171349022
1-[(2-Fluorophenyl)methyl]-5-phenyl-3-thiophen-2-ylpyrazole
CID 177650909
1-[(3-Fluorophenyl)methyl]-5-phenyl-3-thiophen-2-ylpyrazole
CID 177651141
(Z)-Benzyl({[1-phenyl-3-(thiophen-2-YL)-1H-pyrazol-4-YL]methylidene})amine
CID 740213
4-Ethyl-N-{[1-phenyl-3-(thiophen-2-YL)-1H-pyrazol-4-YL]methyl}aniline
CID 6623204
5-cyclopropyl-3-methyl-1,6-diphenyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d]pyrimidine
CID 16276580

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine (CID 15415647) is 2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine is c1ccc(-c2nn(-c3ccccc3)c(-c3cccs3)c2C2=NCCCN2)cc1.
What is the InChIKey of 2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is RRSCSVJEUDFLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4S/c1-3-9-17(10-4-1)21-20(23-24-14-8-15-25-23)22(19-13-7-16-28-19)27(26-21)18-11-5-2-6-12-18/h1-7,9-13,16H,8,14-15H2,(H,24,25).
What are the key properties of 2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine?
2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 384.51 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenyl-5-thiophen-2-ylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 15415647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).