4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol

C19H18FN3O — CID 57062790

IUPAC4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol
SMILESOc1ccc(Cn2nc(-c3ccc(F)cc3)c3c2CCNC3)cc1
InChIInChI=1S/C19H18FN3O/c20-15-5-3-14(4-6-15)19-17-11-21-10-9-18(17)23(22-19)12-13-1-7-16(24)8-2-13/h1-8,21,24H,9-12H2
InChIKeyVHKIZEPEAPZQKR-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.09
Rot. Bonds3

About 4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol

4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol (PubChem CID 57062790) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol
PubChem CID57062790
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol
SMILESOc1ccc(Cn2nc(-c3ccc(F)cc3)c3c2CCNC3)cc1
InChIInChI=1S/C19H18FN3O/c20-15-5-3-14(4-6-15)19-17-11-21-10-9-18(17)23(22-19)12-13-1-7-16(24)8-2-13/h1-8,21,24H,9-12H2
InChIKeyVHKIZEPEAPZQKR-UHFFFAOYSA-N
XLogP3.09
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol?
The IUPAC name of 4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol (CID 57062790) is 4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol is Oc1ccc(Cn2nc(-c3ccc(F)cc3)c3c2CCNC3)cc1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol?
The InChIKey is VHKIZEPEAPZQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-15-5-3-14(4-6-15)19-17-11-21-10-9-18(17)23(22-19)12-13-1-7-16(24)8-2-13/h1-8,21,24H,9-12H2.
What are the key properties of 4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol?
4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol has a molecular weight of 323.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]phenol is sourced from PubChem (CID 57062790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).