(3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol

C13H16FN3O — CID 143691446

IUPAC(3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol
SMILESCc1cc(C(O)Nc2ccnn2C)cc(F)c1C
InChIInChI=1S/C13H16FN3O/c1-8-6-10(7-11(14)9(8)2)13(18)16-12-4-5-15-17(12)3/h4-7,13,16,18H,1-3H3
InChIKeyVOJCIDUGNKMWOV-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.28
Rot. Bonds3

About (3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol

(3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol (PubChem CID 143691446) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is (3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol.

Molecular Properties

Compound Name(3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol
PubChem CID143691446
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name(3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol
SMILESCc1cc(C(O)Nc2ccnn2C)cc(F)c1C
InChIInChI=1S/C13H16FN3O/c1-8-6-10(7-11(14)9(8)2)13(18)16-12-4-5-15-17(12)3/h4-7,13,16,18H,1-3H3
InChIKeyVOJCIDUGNKMWOV-UHFFFAOYSA-N
XLogP2.28
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-[(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidin-6-ylmethylamino)methyl]phenyl]methanol
CID 136263612
2-[1-[(2-Ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol
CID 154976027
2-[1-[(2-Ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol
CID 154976039
1-[3-Fluoro-2-[(2-methylpyrazol-3-yl)amino]phenyl]cyclopentan-1-ol
CID 176266981
(5-Amino-1-methylpyrazol-4-yl)-(4-fluoro-2-methylphenyl)methanol
CID 65361816
(5-Amino-1-methylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
CID 65362037
(5-Amino-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methanol
CID 65362249
(5-Amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol
CID 65362356
1-(2,4-Difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79778270
1-(2,6-Difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79778670
1-(2-Fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79778861
1-(4-Fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79778873

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol?
The IUPAC name of (3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol (CID 143691446) is (3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol.
What is the SMILES notation for (3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol?
The canonical SMILES for (3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol is Cc1cc(C(O)Nc2ccnn2C)cc(F)c1C.
What is the InChIKey of (3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol?
The InChIKey is VOJCIDUGNKMWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8-6-10(7-11(14)9(8)2)13(18)16-12-4-5-15-17(12)3/h4-7,13,16,18H,1-3H3.
What are the key properties of (3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol?
(3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol has a molecular weight of 249.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4,5-dimethylphenyl)-[(2-methylpyrazol-3-yl)amino]methanol is sourced from PubChem (CID 143691446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).