3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine

C16H17N3O — CID 133180239

IUPAC3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine
SMILESCOc1ccc(C2CC(N)=NN2c2ccccc2)cc1
InChIInChI=1S/C16H17N3O/c1-20-14-9-7-12(8-10-14)15-11-16(17)18-19(15)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H2,17,18)
InChIKeyXCOYDYDKPIBMIT-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.92
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine

3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine (PubChem CID 133180239) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine
PubChem CID133180239
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine
SMILESCOc1ccc(C2CC(N)=NN2c2ccccc2)cc1
InChIInChI=1S/C16H17N3O/c1-20-14-9-7-12(8-10-14)15-11-16(17)18-19(15)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H2,17,18)
InChIKeyXCOYDYDKPIBMIT-UHFFFAOYSA-N
XLogP2.92
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-2,3-diphenyl-3,4-dihydropyrazol-5-amine
CID 92982843
(3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 92909932
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46185758
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
N-[[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]aniline
CID 4197734
(E)-3-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 7349365
(3R)-2-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453212
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 164620461

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine (CID 133180239) is 3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine is COc1ccc(C2CC(N)=NN2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine?
The InChIKey is XCOYDYDKPIBMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-14-9-7-12(8-10-14)15-11-16(17)18-19(15)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H2,17,18).
What are the key properties of 3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine?
3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine has a molecular weight of 267.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 133180239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).