2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol

C12H14FN3O — CID 154976025

IUPAC2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
SMILESCCn1nccc1NCc1cc(F)ccc1O
InChIInChI=1S/C12H14FN3O/c1-2-16-12(5-6-15-16)14-8-9-7-10(13)3-4-11(9)17/h3-7,14,17H,2,8H2,1H3
InChIKeyHRNOQUNHWXVXGI-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.36
Rot. Bonds4

About 2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol

2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol (PubChem CID 154976025) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
PubChem CID154976025
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
SMILESCCn1nccc1NCc1cc(F)ccc1O
InChIInChI=1S/C12H14FN3O/c1-2-16-12(5-6-15-16)14-8-9-7-10(13)3-4-11(9)17/h3-7,14,17H,2,8H2,1H3
InChIKeyHRNOQUNHWXVXGI-UHFFFAOYSA-N
XLogP2.36
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxybenzyl)-1H-pyrazol-5-amine
CID 3161263
5-Fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807249
5-Fluoro-2-[[[3-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807263
6-Fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene
CID 166630768
2-(1H-Pyrazol-1-ylmethyl)phenol
CID 15917669
1-(2,5-Dimethylpyrazol-3-yl)-3-[(2-hydroxyphenyl)methyl]urea
CID 53544990
2-({ethyl[2-(1H-pyrazol-1-yl)ethyl]amino}methyl)-4-fluorophenol
CID 56705864
2,6-Difluoro-N-{1-[(2-hydroxyphenyl)methyl]-1H-pyrazol-3-yl}benzamide
CID 59547873
2-[4,4-difluoro-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-4-fluorophenol
CID 67471082
2-[5-Amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol
CID 91498903
5-Fluoro-2-[5-(2-fluoroanilino)-1,3-dimethylpyrazol-4-yl]phenol
CID 132051472
4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol
CID 142800960

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol?
The IUPAC name of 2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol (CID 154976025) is 2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol.
What is the SMILES notation for 2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol?
The canonical SMILES for 2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol is CCn1nccc1NCc1cc(F)ccc1O.
What is the InChIKey of 2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol?
The InChIKey is HRNOQUNHWXVXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-2-16-12(5-6-15-16)14-8-9-7-10(13)3-4-11(9)17/h3-7,14,17H,2,8H2,1H3.
What are the key properties of 2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol?
2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol has a molecular weight of 235.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol is sourced from PubChem (CID 154976025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).