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

C12H14FN3O — CID 107714922

IUPAC3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol
SMILESCC(Nc1ccn(C)n1)c1ccc(O)cc1F
InChIInChI=1S/C12H14FN3O/c1-8(14-12-5-6-16(2)15-12)10-4-3-9(17)7-11(10)13/h3-8,17H,1-2H3,(H,14,15)
InChIKeyNXTQZHBMFNOOMF-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.44
Rot. Bonds3

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

3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol (PubChem CID 107714922) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol
PubChem CID107714922
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol
SMILESCC(Nc1ccn(C)n1)c1ccc(O)cc1F
InChIInChI=1S/C12H14FN3O/c1-8(14-12-5-6-16(2)15-12)10-4-3-9(17)7-11(10)13/h3-8,17H,1-2H3,(H,14,15)
InChIKeyNXTQZHBMFNOOMF-UHFFFAOYSA-N
XLogP2.44
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Fluoro-4-methoxyphenyl)methyl]pyrazol-3-amine
CID 65096515
N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 91254318
1-[(3,5-Difluoro-4-methoxyphenyl)methyl]pyrazol-3-amine
CID 118560161
(3S,4S)-3-fluoro-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]piperidin-4-amine
CID 141188349
N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
CID 141299031
4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol
CID 142800960
4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol
CID 150135129
4-Fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol
CID 151697193
2-[Cyclobutyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 154976023
2-[[(2-Ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 154976025
2-[1-[(2-Ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol
CID 154976027
2-[Cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 154976030

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol (CID 107714922) is 3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol is CC(Nc1ccn(C)n1)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol?
The InChIKey is NXTQZHBMFNOOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8(14-12-5-6-16(2)15-12)10-4-3-9(17)7-11(10)13/h3-8,17H,1-2H3,(H,14,15).
What are the key properties of 3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol?
3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol has a molecular weight of 235.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[(1-methylpyrazol-3-yl)amino]ethyl]phenol is sourced from PubChem (CID 107714922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).