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

C11H12FN3O — CID 107685614

IUPAC2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCn1ccc(NCc2ccc(O)c(F)c2)n1
InChIInChI=1S/C11H12FN3O/c1-15-5-4-11(14-15)13-7-8-2-3-10(16)9(12)6-8/h2-6,16H,7H2,1H3,(H,13,14)
InChIKeyCYLMJDKIASGPAJ-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.88
Rot. Bonds3

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

2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol (PubChem CID 107685614) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
PubChem CID107685614
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCn1ccc(NCc2ccc(O)c(F)c2)n1
InChIInChI=1S/C11H12FN3O/c1-15-5-4-11(14-15)13-7-8-2-3-10(16)9(12)6-8/h2-6,16H,7H2,1H3,(H,13,14)
InChIKeyCYLMJDKIASGPAJ-UHFFFAOYSA-N
XLogP1.88
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxybenzyl)-1H-pyrazol-3-amine
CID 17972321
1-((4-methoxyphenyl)methyl)-1H-pyrazol-5-amine
CID 3161262
1-(4-Hydroxybenzyl)pyrazole
CID 133412
1-((4-(trifluoromethoxy)phenyl)methyl)-1H-pyrazol-5-amine
CID 16783565
1-{[4-(Trifluoromethoxy)phenyl]methyl}-1H-pyrazol-3-amine
CID 54920777
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
1-[[4-(Difluoromethoxy)phenyl]methyl]pyrazol-3-amine
CID 118560370
1-[[3-Fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine
CID 118560577
(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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol (CID 107685614) is 2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol is Cn1ccc(NCc2ccc(O)c(F)c2)n1.
What is the InChIKey of 2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The InChIKey is CYLMJDKIASGPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-5-4-11(14-15)13-7-8-2-3-10(16)9(12)6-8/h2-6,16H,7H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol has a molecular weight of 221.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol is sourced from PubChem (CID 107685614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).