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

C19H23N3O — CID 82071907

IUPAC2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
SMILESCOc1ccc(C2CC(CCN)=NN2c2ccccc2C)cc1
InChIInChI=1S/C19H23N3O/c1-14-5-3-4-6-18(14)22-19(13-16(21-22)11-12-20)15-7-9-17(23-2)10-8-15/h3-10,19H,11-13,20H2,1-2H3
InChIKeyYAXXAKIAHYVXJH-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.66
Rot. Bonds5

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

2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine (PubChem CID 82071907) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
PubChem CID82071907
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
SMILESCOc1ccc(C2CC(CCN)=NN2c2ccccc2C)cc1
InChIInChI=1S/C19H23N3O/c1-14-5-3-4-6-18(14)22-19(13-16(21-22)11-12-20)15-7-9-17(23-2)10-8-15/h3-10,19H,11-13,20H2,1-2H3
InChIKeyYAXXAKIAHYVXJH-UHFFFAOYSA-N
XLogP3.66
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072419
2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071794
2-[2-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072064
2-[2,3-bis(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072414
2-[2-(4-ethoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072054
2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071790
(3S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453358
2-[3-(2-fluorophenyl)-2-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072721
3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine
CID 133180239
2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine
CID 82071795
[2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072542
3-(4-chlorophenyl)-2-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46500935

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine (CID 82071907) is 2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine is COc1ccc(C2CC(CCN)=NN2c2ccccc2C)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The InChIKey is YAXXAKIAHYVXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-5-3-4-6-18(14)22-19(13-16(21-22)11-12-20)15-7-9-17(23-2)10-8-15/h3-10,19H,11-13,20H2,1-2H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine has a molecular weight of 309.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine is sourced from PubChem (CID 82071907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).