3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine

C19H21N3O — CID 11278234

IUPAC3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESCOc1ccc(C(CCN)c2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C19H21N3O/c1-23-18-8-6-16(7-9-18)19(10-11-20)15-4-2-14(3-5-15)17-12-21-22-13-17/h2-9,12-13,19H,10-11,20H2,1H3,(H,21,22)
InChIKeyDXCGBCQOMLIHOA-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.57
Rot. Bonds6

About 3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine

3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (PubChem CID 11278234) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
PubChem CID11278234
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESCOc1ccc(C(CCN)c2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C19H21N3O/c1-23-18-8-6-16(7-9-18)19(10-11-20)15-4-2-14(3-5-15)17-12-21-22-13-17/h2-9,12-13,19H,10-11,20H2,1H3,(H,21,22)
InChIKeyDXCGBCQOMLIHOA-UHFFFAOYSA-N
XLogP3.57
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (CID 11278234) is 3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is COc1ccc(C(CCN)c2ccc(-c3cn[nH]c3)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The InChIKey is DXCGBCQOMLIHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-23-18-8-6-16(7-9-18)19(10-11-20)15-4-2-14(3-5-15)17-12-21-22-13-17/h2-9,12-13,19H,10-11,20H2,1H3,(H,21,22).
What are the key properties of 3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 11278234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).