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

C19H23N3O2 — CID 82072414

IUPAC2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
SMILESCOc1cccc(C2CC(CCN)=NN2c2cccc(OC)c2)c1
InChIInChI=1S/C19H23N3O2/c1-23-17-7-3-5-14(11-17)19-12-15(9-10-20)21-22(19)16-6-4-8-18(13-16)24-2/h3-8,11,13,19H,9-10,12,20H2,1-2H3
InChIKeyHEOWPVWNAXMLEM-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.36
Rot. Bonds6

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

2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine (PubChem CID 82072414) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
PubChem CID82072414
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
SMILESCOc1cccc(C2CC(CCN)=NN2c2cccc(OC)c2)c1
InChIInChI=1S/C19H23N3O2/c1-23-17-7-3-5-14(11-17)19-12-15(9-10-20)21-22(19)16-6-4-8-18(13-16)24-2/h3-8,11,13,19H,9-10,12,20H2,1-2H3
InChIKeyHEOWPVWNAXMLEM-UHFFFAOYSA-N
XLogP3.36
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072419
2-[3-(2-fluorophenyl)-2-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072721
2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071907
[2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071807
[5-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 105458828
[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071810
2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine
CID 82071795
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 139707086
[5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061541
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The IUPAC name of 2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine (CID 82072414) is 2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine is COc1cccc(C2CC(CCN)=NN2c2cccc(OC)c2)c1.
What is the InChIKey of 2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The InChIKey is HEOWPVWNAXMLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-23-17-7-3-5-14(11-17)19-12-15(9-10-20)21-22(19)16-6-4-8-18(13-16)24-2/h3-8,11,13,19H,9-10,12,20H2,1-2H3.
What are the key properties of 2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine has a molecular weight of 325.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine is sourced from PubChem (CID 82072414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).