4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine

C11H12FN3O — CID 171415374

IUPAC4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine
SMILESCOc1ccc(Cn2ncc(F)c2N)cc1
InChIInChI=1S/C11H12FN3O/c1-16-9-4-2-8(3-5-9)7-15-11(13)10(12)6-14-15/h2-6H,7,13H2,1H3
InChIKeyQBMNPORVCKPOJQ-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.66
Rot. Bonds3

About 4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine

4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine (PubChem CID 171415374) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine
PubChem CID171415374
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine
SMILESCOc1ccc(Cn2ncc(F)c2N)cc1
InChIInChI=1S/C11H12FN3O/c1-16-9-4-2-8(3-5-9)7-15-11(13)10(12)6-14-15/h2-6H,7,13H2,1H3
InChIKeyQBMNPORVCKPOJQ-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 4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine?
The IUPAC name of 4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine (CID 171415374) is 4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine is COc1ccc(Cn2ncc(F)c2N)cc1.
What is the InChIKey of 4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine?
The InChIKey is QBMNPORVCKPOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-16-9-4-2-8(3-5-9)7-15-11(13)10(12)6-14-15/h2-6H,7,13H2,1H3.
What are the key properties of 4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine?
4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-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 4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-amine is sourced from PubChem (CID 171415374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).