2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine

C20H25N3O — CID 82071790

IUPAC2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
SMILESCCCOc1ccc(N2N=C(CCN)CC2c2ccccc2)cc1
InChIInChI=1S/C20H25N3O/c1-2-14-24-19-10-8-18(9-11-19)23-20(15-17(22-23)12-13-21)16-6-4-3-5-7-16/h3-11,20H,2,12-15,21H2,1H3
InChIKeyBZSLLUKDIDUOCZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.13
Rot. Bonds7

About 2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine

2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine (PubChem CID 82071790) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
PubChem CID82071790
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
SMILESCCCOc1ccc(N2N=C(CCN)CC2c2ccccc2)cc1
InChIInChI=1S/C20H25N3O/c1-2-14-24-19-10-8-18(9-11-19)23-20(15-17(22-23)12-13-21)16-6-4-3-5-7-16/h3-11,20H,2,12-15,21H2,1H3
InChIKeyBZSLLUKDIDUOCZ-UHFFFAOYSA-N
XLogP4.13
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072054
[3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
CID 82072317
2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine
CID 82071795
[2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072314
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-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071794
[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071810
2-[3-(2-fluorophenyl)-2-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072721
2-[2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072419
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
2-[3-(4-propoxyphenyl)triazol-4-yl]ethanamine
CID 112518516

Frequently Asked Questions

What is the IUPAC name of 2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The IUPAC name of 2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine (CID 82071790) is 2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine is CCCOc1ccc(N2N=C(CCN)CC2c2ccccc2)cc1.
What is the InChIKey of 2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
The InChIKey is BZSLLUKDIDUOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-14-24-19-10-8-18(9-11-19)23-20(15-17(22-23)12-13-21)16-6-4-3-5-7-16/h3-11,20H,2,12-15,21H2,1H3.
What are the key properties of 2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine?
2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine has a molecular weight of 323.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine is sourced from PubChem (CID 82071790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).