4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine

C11H12FN3O — CID 117315496

IUPAC4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(F)cc(-c2cnn(C)c2N)c1
InChIInChI=1S/C11H12FN3O/c1-15-11(13)10(6-14-15)7-3-8(12)5-9(4-7)16-2/h3-6H,13H2,1-2H3
InChIKeyFHBYJCVVCQMEFG-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.82
Rot. Bonds2

About 4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine

4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117315496) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117315496
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(F)cc(-c2cnn(C)c2N)c1
InChIInChI=1S/C11H12FN3O/c1-15-11(13)10(6-14-15)7-3-8(12)5-9(4-7)16-2/h3-6H,13H2,1-2H3
InChIKeyFHBYJCVVCQMEFG-UHFFFAOYSA-N
XLogP1.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426013
4-(2,4-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350174
4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117392093
4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117412665
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444289
4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422690
4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464596
5-(3-fluoro-5-methoxyphenyl)pyridin-3-amine
CID 168655350
4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117319251
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117351877

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117315496) is 4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine is COc1cc(F)cc(-c2cnn(C)c2N)c1.
What is the InChIKey of 4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is FHBYJCVVCQMEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-11(13)10(6-14-15)7-3-8(12)5-9(4-7)16-2/h3-6H,13H2,1-2H3.
What are the key properties of 4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine?
4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 221.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117315496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).