3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol

C19H18F3N3O2 — CID 58806598

IUPAC3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCCO)cc2)cn1
InChIInChI=1S/C19H18F3N3O2/c1-27-18-9-8-15(12-23-18)25-16(11-17(24-25)19(20,21)22)14-6-4-13(5-7-14)3-2-10-26/h4-9,11-12,26H,2-3,10H2,1H3
InChIKeyFUURWXVYXQEQAG-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.89
Rot. Bonds6

About 3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol

3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol (PubChem CID 58806598) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol
PubChem CID58806598
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCCO)cc2)cn1
InChIInChI=1S/C19H18F3N3O2/c1-27-18-9-8-15(12-23-18)25-16(11-17(24-25)19(20,21)22)14-6-4-13(5-7-14)3-2-10-26/h4-9,11-12,26H,2-3,10H2,1H3
InChIKeyFUURWXVYXQEQAG-UHFFFAOYSA-N
XLogP3.89
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol (CID 58806598) is 3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol is COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCCO)cc2)cn1.
What is the InChIKey of 3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol?
The InChIKey is FUURWXVYXQEQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-27-18-9-8-15(12-23-18)25-16(11-17(24-25)19(20,21)22)14-6-4-13(5-7-14)3-2-10-26/h4-9,11-12,26H,2-3,10H2,1H3.
What are the key properties of 3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol?
3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol has a molecular weight of 377.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]propan-1-ol is sourced from PubChem (CID 58806598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).