2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine

C20H25N3O — CID 82072419

IUPAC2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
SMILESCOc1cccc(C2CC(CCN)=NN2c2cc(C)ccc2C)c1
InChIInChI=1S/C20H25N3O/c1-14-7-8-15(2)19(11-14)23-20(13-17(22-23)9-10-21)16-5-4-6-18(12-16)24-3/h4-8,11-12,20H,9-10,13,21H2,1-3H3
InChIKeyULLNSJPOGUEBHH-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.97
Rot. Bonds5

About 2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine

2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine (PubChem CID 82072419) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
PubChem CID82072419
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
SMILESCOc1cccc(C2CC(CCN)=NN2c2cc(C)ccc2C)c1
InChIInChI=1S/C20H25N3O/c1-14-7-8-15(2)19(11-14)23-20(13-17(22-23)9-10-21)16-5-4-6-18(12-16)24-3/h4-8,11-12,20H,9-10,13,21H2,1-3H3
InChIKeyULLNSJPOGUEBHH-UHFFFAOYSA-N
XLogP3.97
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072414
2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071907
2-[3-(2-fluorophenyl)-2-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072721
2-[2-(4-ethoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072054
[2-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072199
[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071810
[5-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 105458828
1-[(3R)-5-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 93230108
[2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072542
2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine
CID 82071795
1-[(3S)-5-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 93230109
ethyl (3R)-1-[2-[(3S)-5-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxylate
CID 93230123

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine (CID 82072419) is 2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine is COc1cccc(C2CC(CCN)=NN2c2cc(C)ccc2C)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The InChIKey is ULLNSJPOGUEBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-7-8-15(2)19(11-14)23-20(13-17(22-23)9-10-21)16-5-4-6-18(12-16)24-3/h4-8,11-12,20H,9-10,13,21H2,1-3H3.
What are the key properties of 2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine has a molecular weight of 323.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine is sourced from PubChem (CID 82072419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).