1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine

C11H12FN3O — CID 43154850

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
SMILESCOc1ccc(Cn2cc(N)cn2)cc1F
InChIInChI=1S/C11H12FN3O/c1-16-11-3-2-8(4-10(11)12)6-15-7-9(13)5-14-15/h2-5,7H,6,13H2,1H3
InChIKeyQTCSYWYMEXBJQP-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.66
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine

1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine (PubChem CID 43154850) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
PubChem CID43154850
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
SMILESCOc1ccc(Cn2cc(N)cn2)cc1F
InChIInChI=1S/C11H12FN3O/c1-16-11-3-2-8(4-10(11)12)6-15-7-9(13)5-14-15/h2-5,7H,6,13H2,1H3
InChIKeyQTCSYWYMEXBJQP-UHFFFAOYSA-N
XLogP1.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine (CID 43154850) is 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine is COc1ccc(Cn2cc(N)cn2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine?
The InChIKey is QTCSYWYMEXBJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-16-11-3-2-8(4-10(11)12)6-15-7-9(13)5-14-15/h2-5,7H,6,13H2,1H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine?
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine has a molecular weight of 221.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 43154850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).