2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine

C35H32N4O4 — CID 24807745

IUPAC2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(C2=NN(c3nc(-c4ccc(OC)cc4)cc(-c4ccc(OC)cc4)n3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C35H32N4O4/c1-40-27-13-5-23(6-14-27)31-21-32(24-7-15-28(41-2)16-8-24)37-35(36-31)39-34(26-11-19-30(43-4)20-12-26)22-33(38-39)25-9-17-29(42-3)18-10-25/h5-21,34H,22H2,1-4H3
InChIKeyZOVZFMMNGKVZPO-UHFFFAOYSA-N
MW572.67 g/mol
LogP7.20
Rot. Bonds9

About 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine

2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine (PubChem CID 24807745) has the molecular formula C35H32N4O4 and a molecular weight of 572.67 g/mol. Its IUPAC name is 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
PubChem CID24807745
Molecular FormulaC35H32N4O4
Molecular Weight572.67 g/mol
Exact Mass572.24
IUPAC Name2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(C2=NN(c3nc(-c4ccc(OC)cc4)cc(-c4ccc(OC)cc4)n3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C35H32N4O4/c1-40-27-13-5-23(6-14-27)31-21-32(24-7-15-28(41-2)16-8-24)37-35(36-31)39-34(26-11-19-30(43-4)20-12-26)22-33(38-39)25-9-17-29(42-3)18-10-25/h5-21,34H,22H2,1-4H3
InChIKeyZOVZFMMNGKVZPO-UHFFFAOYSA-N
XLogP7.20
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
CID 139084202
2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine
CID 92844911
4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
CID 98593755
(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
CID 26723226
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine
CID 24807566
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142879
5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142864
2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine
CID 54440320
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine?
The IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine (CID 24807745) is 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine is COc1ccc(C2=NN(c3nc(-c4ccc(OC)cc4)cc(-c4ccc(OC)cc4)n3)C(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine?
The InChIKey is ZOVZFMMNGKVZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O4/c1-40-27-13-5-23(6-14-27)31-21-32(24-7-15-28(41-2)16-8-24)37-35(36-31)39-34(26-11-19-30(43-4)20-12-26)22-33(38-39)25-9-17-29(42-3)18-10-25/h5-21,34H,22H2,1-4H3.
What are the key properties of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine?
2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine has a molecular weight of 572.67 g/mol, XLogP of 7.20, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 24807745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).