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

C18H17Cl2N3 — CID 11772358

IUPAC3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESNCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3/c19-17-6-5-14(9-18(17)20)16(7-8-21)13-3-1-12(2-4-13)15-10-22-23-11-15/h1-6,9-11,16H,7-8,21H2,(H,22,23)
InChIKeyGCIJUVFCSAIPKY-UHFFFAOYSA-N
MW346.26 g/mol
LogP4.86
Rot. Bonds5

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

3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (PubChem CID 11772358) has the molecular formula C18H17Cl2N3 and a molecular weight of 346.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
PubChem CID11772358
Molecular FormulaC18H17Cl2N3
Molecular Weight346.26 g/mol
Exact Mass345.08
IUPAC Name3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESNCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3/c19-17-6-5-14(9-18(17)20)16(7-8-21)13-3-1-12(2-4-13)15-10-22-23-11-15/h1-6,9-11,16H,7-8,21H2,(H,22,23)
InChIKeyGCIJUVFCSAIPKY-UHFFFAOYSA-N
XLogP4.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (CID 11772358) is 3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is NCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The InChIKey is GCIJUVFCSAIPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3/c19-17-6-5-14(9-18(17)20)16(7-8-21)13-3-1-12(2-4-13)15-10-22-23-11-15/h1-6,9-11,16H,7-8,21H2,(H,22,23).
What are the key properties of 3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine has a molecular weight of 346.26 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 11772358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).