4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline

C34H29N3O — CID 176837167

IUPAC4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C2)cc1
InChIInChI=1S/C34H29N3O/c1-38-32-23-19-26(20-24-32)33-25-34(37(35-33)31-15-9-4-10-16-31)27-17-21-30(22-18-27)36(28-11-5-2-6-12-28)29-13-7-3-8-14-29/h2-24,34H,25H2,1H3
InChIKeyOZMKTHSBPZNEGL-UHFFFAOYSA-N
MW495.63 g/mol
LogP8.52
Rot. Bonds7

About 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline

4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline (PubChem CID 176837167) has the molecular formula C34H29N3O and a molecular weight of 495.63 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
PubChem CID176837167
Molecular FormulaC34H29N3O
Molecular Weight495.63 g/mol
Exact Mass495.23
IUPAC Name4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C2)cc1
InChIInChI=1S/C34H29N3O/c1-38-32-23-19-26(20-24-32)33-25-34(37(35-33)31-15-9-4-10-16-31)27-17-21-30(22-18-27)36(28-11-5-2-6-12-28)29-13-7-3-8-14-29/h2-24,34H,25H2,1H3
InChIKeyOZMKTHSBPZNEGL-UHFFFAOYSA-N
XLogP8.52
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
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
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline
CID 2729182
4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
CID 98593755
4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 70518687
N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline
CID 42645863
[4-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylidenehydrazine
CID 3375455
(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7215001
3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine
CID 133180239

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline (CID 176837167) is 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline is COc1ccc(C2=NN(c3ccccc3)C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline?
The InChIKey is OZMKTHSBPZNEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O/c1-38-32-23-19-26(20-24-32)33-25-34(37(35-33)31-15-9-4-10-16-31)27-17-21-30(22-18-27)36(28-11-5-2-6-12-28)29-13-7-3-8-14-29/h2-24,34H,25H2,1H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline?
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline has a molecular weight of 495.63 g/mol, XLogP of 8.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 176837167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).