4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol

C18H19N3O — CID 86815175

IUPAC4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol
SMILESOC(CCc1ccccc1)Cn1nccc1-c1cccnc1
InChIInChI=1S/C18H19N3O/c22-17(9-8-15-5-2-1-3-6-15)14-21-18(10-12-20-21)16-7-4-11-19-13-16/h1-7,10-13,17,22H,8-9,14H2
InChIKeyWLHFQZKSMMVIPO-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.94
Rot. Bonds6

About 4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol

4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol (PubChem CID 86815175) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol
PubChem CID86815175
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol
SMILESOC(CCc1ccccc1)Cn1nccc1-c1cccnc1
InChIInChI=1S/C18H19N3O/c22-17(9-8-15-5-2-1-3-6-15)14-21-18(10-12-20-21)16-7-4-11-19-13-16/h1-7,10-13,17,22H,8-9,14H2
InChIKeyWLHFQZKSMMVIPO-UHFFFAOYSA-N
XLogP2.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Gdc-0879
CID 11717001
(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
(E)-5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime
CID 25093303
trans-(1S,2S)-2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]cyclopentan-1-ol
CID 11545261
3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propane-1,2-diol
CID 11566757
5-[1-(2-Hydroxyethyl)-3-pyridin-4-yl-4-pyrazolyl]-2,3-dihydroinden-1-one oxime
CID 57519545
{4-[3-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]pyridin-2-Yl}methanol
CID 71710905
2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol
CID 44587191
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
[1-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 16188178
{3-benzyl-1-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16189064
[1-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-phenylethyl)piperidin-4-yl]methanol
CID 16191943

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol?
The IUPAC name of 4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol (CID 86815175) is 4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol.
What is the SMILES notation for 4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol?
The canonical SMILES for 4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol is OC(CCc1ccccc1)Cn1nccc1-c1cccnc1.
What is the InChIKey of 4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol?
The InChIKey is WLHFQZKSMMVIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-17(9-8-15-5-2-1-3-6-15)14-21-18(10-12-20-21)16-7-4-11-19-13-16/h1-7,10-13,17,22H,8-9,14H2.
What are the key properties of 4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol?
4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol has a molecular weight of 293.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol is sourced from PubChem (CID 86815175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).