1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol

C19H19F3N4O — CID 174733887

IUPAC1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol
SMILESCc1cc(C(O)CC(Nc2cccc(C(F)(F)F)c2)c2ccn[nH]2)ccn1
InChIInChI=1S/C19H19F3N4O/c1-12-9-13(5-7-23-12)18(27)11-17(16-6-8-24-26-16)25-15-4-2-3-14(10-15)19(20,21)22/h2-10,17-18,25,27H,11H2,1H3,(H,24,26)
InChIKeyHAXLKZHPXPHDSB-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.41
Rot. Bonds6

About 1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol

1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol (PubChem CID 174733887) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol
PubChem CID174733887
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol
SMILESCc1cc(C(O)CC(Nc2cccc(C(F)(F)F)c2)c2ccn[nH]2)ccn1
InChIInChI=1S/C19H19F3N4O/c1-12-9-13(5-7-23-12)18(27)11-17(16-6-8-24-26-16)25-15-4-2-3-14(10-15)19(20,21)22/h2-10,17-18,25,27H,11H2,1H3,(H,24,26)
InChIKeyHAXLKZHPXPHDSB-UHFFFAOYSA-N
XLogP4.41
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol?
The IUPAC name of 1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol (CID 174733887) is 1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol is Cc1cc(C(O)CC(Nc2cccc(C(F)(F)F)c2)c2ccn[nH]2)ccn1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol?
The InChIKey is HAXLKZHPXPHDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-12-9-13(5-7-23-12)18(27)11-17(16-6-8-24-26-16)25-15-4-2-3-14(10-15)19(20,21)22/h2-10,17-18,25,27H,11H2,1H3,(H,24,26).
What are the key properties of 1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol?
1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol has a molecular weight of 376.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)-3-(1H-pyrazol-5-yl)-3-[3-(trifluoromethyl)anilino]propan-1-ol is sourced from PubChem (CID 174733887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).