4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine

C11H12FN3O — CID 82079969

IUPAC4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2C)cc1F
InChIInChI=1S/C11H12FN3O/c1-6-10(11(13)15-14-6)7-3-4-9(16-2)8(12)5-7/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyOFPQZRFCIZAGKZ-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.12
Rot. Bonds2

About 4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine

4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine (PubChem CID 82079969) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine
PubChem CID82079969
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2C)cc1F
InChIInChI=1S/C11H12FN3O/c1-6-10(11(13)15-14-6)7-3-4-9(16-2)8(12)5-7/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyOFPQZRFCIZAGKZ-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine (CID 82079969) is 4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine is COc1ccc(-c2c(N)n[nH]c2C)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
The InChIKey is OFPQZRFCIZAGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-6-10(11(13)15-14-6)7-3-4-9(16-2)8(12)5-7/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
4-(3-fluoro-4-methoxyphenyl)-5-methyl-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 4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 82079969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).