2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol

C19H20FN3O — CID 110924537

IUPAC2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol
SMILESCc1ccccc1-c1cc(NCc2ccccc2F)n(CCO)n1
InChIInChI=1S/C19H20FN3O/c1-14-6-2-4-8-16(14)18-12-19(23(22-18)10-11-24)21-13-15-7-3-5-9-17(15)20/h2-9,12,21,24H,10-11,13H2,1H3
InChIKeyLGUWPGBDQAHTLU-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.60
Rot. Bonds6

About 2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol

2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol (PubChem CID 110924537) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol
PubChem CID110924537
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol
SMILESCc1ccccc1-c1cc(NCc2ccccc2F)n(CCO)n1
InChIInChI=1S/C19H20FN3O/c1-14-6-2-4-8-16(14)18-12-19(23(22-18)10-11-24)21-13-15-7-3-5-9-17(15)20/h2-9,12,21,24H,10-11,13H2,1H3
InChIKeyLGUWPGBDQAHTLU-UHFFFAOYSA-N
XLogP3.60
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]-6-methylpyridin-3-ol
CID 110935658
2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 110928785
1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
CID 52875986
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide
CID 110004021
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]pent-4-enamide
CID 110928314
2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 110924573
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide
CID 110928306
(1S,6S)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775066
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide
CID 110027521
1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95282305
(2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide
CID 97007846
2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
CID 110924575

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol (CID 110924537) is 2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol is Cc1ccccc1-c1cc(NCc2ccccc2F)n(CCO)n1.
What is the InChIKey of 2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol?
The InChIKey is LGUWPGBDQAHTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-14-6-2-4-8-16(14)18-12-19(23(22-18)10-11-24)21-13-15-7-3-5-9-17(15)20/h2-9,12,21,24H,10-11,13H2,1H3.
What are the key properties of 2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol?
2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol has a molecular weight of 325.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 110924537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).