5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine

C11H12FN3O — CID 117315411

IUPAC5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(-c2cc(N)n[nH]2)c(F)cc1C
InChIInChI=1S/C11H12FN3O/c1-6-3-8(12)7(4-10(6)16-2)9-5-11(13)15-14-9/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyMHZVKZCIQABEQH-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.12
Rot. Bonds2

About 5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine

5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 117315411) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID117315411
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(-c2cc(N)n[nH]2)c(F)cc1C
InChIInChI=1S/C11H12FN3O/c1-6-3-8(12)7(4-10(6)16-2)9-5-11(13)15-14-9/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyMHZVKZCIQABEQH-UHFFFAOYSA-N
XLogP2.12
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
CID 136993747
4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
CID 137017080
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117322792
5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117421240
5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412508
5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117453081
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 136963394
5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
CID 117464714
5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine
CID 117334288
5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine
CID 117426026
2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol
CID 136993746
5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine
CID 113452627

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine (CID 117315411) is 5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine is COc1cc(-c2cc(N)n[nH]2)c(F)cc1C.
What is the InChIKey of 5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is MHZVKZCIQABEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-6-3-8(12)7(4-10(6)16-2)9-5-11(13)15-14-9/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine?
5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 221.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117315411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).