[1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol

C19H26FN3O — CID 70760731

IUPAC[1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(Cc2cnn(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C19H26FN3O/c1-2-7-19(15-24)8-4-9-22(14-19)12-16-11-21-23(13-16)18-6-3-5-17(20)10-18/h3,5-6,10-11,13,24H,2,4,7-9,12,14-15H2,1H3
InChIKeyYPDNVXZPMLGYCL-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.39
Rot. Bonds6

About [1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol

[1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol (PubChem CID 70760731) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is [1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol
PubChem CID70760731
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name[1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(Cc2cnn(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C19H26FN3O/c1-2-7-19(15-24)8-4-9-22(14-19)12-16-11-21-23(13-16)18-6-3-5-17(20)10-18/h3,5-6,10-11,13,24H,2,4,7-9,12,14-15H2,1H3
InChIKeyYPDNVXZPMLGYCL-UHFFFAOYSA-N
XLogP3.39
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol?
The IUPAC name of [1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol (CID 70760731) is [1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol is CCCC1(CO)CCCN(Cc2cnn(-c3cccc(F)c3)c2)C1.
What is the InChIKey of [1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol?
The InChIKey is YPDNVXZPMLGYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-2-7-19(15-24)8-4-9-22(14-19)12-16-11-21-23(13-16)18-6-3-5-17(20)10-18/h3,5-6,10-11,13,24H,2,4,7-9,12,14-15H2,1H3.
What are the key properties of [1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol?
[1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol has a molecular weight of 331.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-propylpiperidin-3-yl]methanol is sourced from PubChem (CID 70760731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).