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

C14H16F3N3O2 — CID 86606343

IUPAC1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol
SMILESCCOc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)CC
InChIInChI=1S/C14H16F3N3O2/c1-3-11(21)10-8-20(19-13(10)22-4-2)12-6-5-9(7-18-12)14(15,16)17/h5-8,11,21H,3-4H2,1-2H3
InChIKeyFQVFFFHWUCXHGZ-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.13
Rot. Bonds5

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

1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol (PubChem CID 86606343) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol
PubChem CID86606343
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol
SMILESCCOc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)CC
InChIInChI=1S/C14H16F3N3O2/c1-3-11(21)10-8-20(19-13(10)22-4-2)12-6-5-9(7-18-12)14(15,16)17/h5-8,11,21H,3-4H2,1-2H3
InChIKeyFQVFFFHWUCXHGZ-UHFFFAOYSA-N
XLogP3.13
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol (CID 86606343) is 1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol is CCOc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(O)CC.
What is the InChIKey of 1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol?
The InChIKey is FQVFFFHWUCXHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-3-11(21)10-8-20(19-13(10)22-4-2)12-6-5-9(7-18-12)14(15,16)17/h5-8,11,21H,3-4H2,1-2H3.
What are the key properties of 1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol?
1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol has a molecular weight of 315.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 86606343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).