3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol

C19H17ClF3N3O — CID 15603599

IUPAC3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol
SMILESNCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C19H17ClF3N3O/c20-15-7-5-14(6-8-15)18(27,9-10-24)13-3-1-12(2-4-13)16-11-25-26-17(16)19(21,22)23/h1-8,11,27H,9-10,24H2,(H,25,26)
InChIKeyCIONLJLQCHSDAO-UHFFFAOYSA-N
MW395.81 g/mol
LogP4.33
Rot. Bonds5

About 3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol

3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol (PubChem CID 15603599) has the molecular formula C19H17ClF3N3O and a molecular weight of 395.81 g/mol. Its IUPAC name is 3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol
PubChem CID15603599
Molecular FormulaC19H17ClF3N3O
Molecular Weight395.81 g/mol
Exact Mass395.10
IUPAC Name3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol
SMILESNCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C19H17ClF3N3O/c20-15-7-5-14(6-8-15)18(27,9-10-24)13-3-1-12(2-4-13)16-11-25-26-17(16)19(21,22)23/h1-8,11,27H,9-10,24H2,(H,25,26)
InChIKeyCIONLJLQCHSDAO-UHFFFAOYSA-N
XLogP4.33
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 54.33
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-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol (CID 15603599) is 3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol is NCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2C(F)(F)F)cc1.
What is the InChIKey of 3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol?
The InChIKey is CIONLJLQCHSDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O/c20-15-7-5-14(6-8-15)18(27,9-10-24)13-3-1-12(2-4-13)16-11-25-26-17(16)19(21,22)23/h1-8,11,27H,9-10,24H2,(H,25,26).
What are the key properties of 3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol?
3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol has a molecular weight of 395.81 g/mol, XLogP of 4.33, 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-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol is sourced from PubChem (CID 15603599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).