2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine

C31H24N4 — CID 92844911

IUPAC2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(C2=NN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C31H24N4/c1-5-13-23(14-6-1)27-21-28(24-15-7-2-8-16-24)33-31(32-27)35-30(26-19-11-4-12-20-26)22-29(34-35)25-17-9-3-10-18-25/h1-21,30H,22H2/t30-/m0/s1
InChIKeyURGQMHSJVSYSGM-PMERELPUSA-N
MW452.56 g/mol
LogP7.17
Rot. Bonds5

About 2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine

2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine (PubChem CID 92844911) has the molecular formula C31H24N4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine
PubChem CID92844911
Molecular FormulaC31H24N4
Molecular Weight452.56 g/mol
Exact Mass452.20
IUPAC Name2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(C2=NN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C31H24N4/c1-5-13-23(14-6-1)27-21-28(24-15-7-2-8-16-24)33-31(32-27)35-30(26-19-11-4-12-20-26)22-29(34-35)25-17-9-3-10-18-25/h1-21,30H,22H2/t30-/m0/s1
InChIKeyURGQMHSJVSYSGM-PMERELPUSA-N
XLogP7.17
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine
CID 24807566
2-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
CID 139084202
2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
CID 24807745
4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
CID 98593755
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole
CID 2840664
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
2-[(3S)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98119818
4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol
CID 136961371
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1H-benzimidazole
CID 23610018
2-[(3R)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 41011325
2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 97063960

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine (CID 92844911) is 2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine is c1ccc(C2=NN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of 2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine?
The InChIKey is URGQMHSJVSYSGM-PMERELPUSA-N. The full InChI is InChI=1S/C31H24N4/c1-5-13-23(14-6-1)27-21-28(24-15-7-2-8-16-24)33-31(32-27)35-30(26-19-11-4-12-20-26)22-29(34-35)25-17-9-3-10-18-25/h1-21,30H,22H2/t30-/m0/s1.
What are the key properties of 2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine?
2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine has a molecular weight of 452.56 g/mol, XLogP of 7.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 92844911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).