4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol

C12H14FN3O — CID 151697193

IUPAC4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCN(Cc1cc(F)ccc1O)c1ccn(C)n1
InChIInChI=1S/C12H14FN3O/c1-15(12-5-6-16(2)14-12)8-9-7-10(13)3-4-11(9)17/h3-7,17H,8H2,1-2H3
InChIKeyRDUVVTQTPNZKHW-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.90
Rot. Bonds3

About 4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol

4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol (PubChem CID 151697193) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol
PubChem CID151697193
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCN(Cc1cc(F)ccc1O)c1ccn(C)n1
InChIInChI=1S/C12H14FN3O/c1-15(12-5-6-16(2)14-12)8-9-7-10(13)3-4-11(9)17/h3-7,17H,8H2,1-2H3
InChIKeyRDUVVTQTPNZKHW-UHFFFAOYSA-N
XLogP1.90
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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CID 133412
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2-(1-Tert-butylpyrazol-3-yl)-4,6-difluorophenol
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2-(2-Pyrazol-1-ylethyliminomethyl)phenol
CID 136244550
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2-[di(1H-pyrazol-1-yl)methyl]phenol
CID 12057126
2-[(2-Phenylpyrazol-3-yl)iminomethyl]phenol
CID 2731470
2-(1H-Pyrazol-1-ylmethyl)phenol
CID 15917669
2-({ethyl[2-(1H-pyrazol-1-yl)ethyl]amino}methyl)-4-fluorophenol
CID 56705864
2-[4,4-difluoro-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-4-fluorophenol
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CID 135741971

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol (CID 151697193) is 4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol is CN(Cc1cc(F)ccc1O)c1ccn(C)n1.
What is the InChIKey of 4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol?
The InChIKey is RDUVVTQTPNZKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-15(12-5-6-16(2)14-12)8-9-7-10(13)3-4-11(9)17/h3-7,17H,8H2,1-2H3.
What are the key properties of 4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol?
4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol has a molecular weight of 235.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol is sourced from PubChem (CID 151697193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).