3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol

C18H18FN3O — CID 67092228

IUPAC3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol
SMILESOCCCn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O/c19-16-4-2-14(3-5-16)12-17-13-18(15-6-8-20-9-7-15)21-22(17)10-1-11-23/h2-9,13,23H,1,10-12H2
InChIKeyCYTFASHSKLHPFH-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.06
Rot. Bonds6

About 3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol

3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol (PubChem CID 67092228) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol
PubChem CID67092228
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol
SMILESOCCCn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O/c19-16-4-2-14(3-5-16)12-17-13-18(15-6-8-20-9-7-15)21-22(17)10-1-11-23/h2-9,13,23H,1,10-12H2
InChIKeyCYTFASHSKLHPFH-UHFFFAOYSA-N
XLogP3.06
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol (CID 67092228) is 3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol is OCCCn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1.
What is the InChIKey of 3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol?
The InChIKey is CYTFASHSKLHPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-16-4-2-14(3-5-16)12-17-13-18(15-6-8-20-9-7-15)21-22(17)10-1-11-23/h2-9,13,23H,1,10-12H2.
What are the key properties of 3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol?
3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol has a molecular weight of 311.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 67092228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).