3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol

C18H17ClFN3O — CID 15603477

IUPAC3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
SMILESNCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)c(F)c1
InChIInChI=1S/C18H17ClFN3O/c19-15-4-1-13(2-5-15)18(24,7-8-21)14-3-6-16(17(20)9-14)12-10-22-23-11-12/h1-6,9-11,24H,7-8,21H2,(H,22,23)
InChIKeyDTXFVYVTJKJFJV-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.45
Rot. Bonds5

About 3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol

3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol (PubChem CID 15603477) has the molecular formula C18H17ClFN3O and a molecular weight of 345.81 g/mol. Its IUPAC name is 3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
PubChem CID15603477
Molecular FormulaC18H17ClFN3O
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC Name3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
SMILESNCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)c(F)c1
InChIInChI=1S/C18H17ClFN3O/c19-15-4-1-13(2-5-15)18(24,7-8-21)14-3-6-16(17(20)9-14)12-10-22-23-11-12/h1-6,9-11,24H,7-8,21H2,(H,22,23)
InChIKeyDTXFVYVTJKJFJV-UHFFFAOYSA-N
XLogP3.45
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol (CID 15603477) is 3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol is NCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)c(F)c1.
What is the InChIKey of 3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol?
The InChIKey is DTXFVYVTJKJFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O/c19-15-4-1-13(2-5-15)18(24,7-8-21)14-3-6-16(17(20)9-14)12-10-22-23-11-12/h1-6,9-11,24H,7-8,21H2,(H,22,23).
What are the key properties of 3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol?
3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol has a molecular weight of 345.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol is sourced from PubChem (CID 15603477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).