1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine

C17H16FN3O — CID 67113891

IUPAC1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccccc1Cc1cn(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C17H16FN3O/c1-22-16-5-3-2-4-12(16)10-13-11-21(20-17(13)19)15-8-6-14(18)7-9-15/h2-9,11H,10H2,1H3,(H2,19,20)
InChIKeyXAYNFLLCENHVSL-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.19
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine

1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine (PubChem CID 67113891) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine
PubChem CID67113891
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccccc1Cc1cn(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C17H16FN3O/c1-22-16-5-3-2-4-12(16)10-13-11-21(20-17(13)19)15-8-6-14(18)7-9-15/h2-9,11H,10H2,1H3,(H2,19,20)
InChIKeyXAYNFLLCENHVSL-UHFFFAOYSA-N
XLogP3.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine (CID 67113891) is 1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine is COc1ccccc1Cc1cn(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine?
The InChIKey is XAYNFLLCENHVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-22-16-5-3-2-4-12(16)10-13-11-21(20-17(13)19)15-8-6-14(18)7-9-15/h2-9,11H,10H2,1H3,(H2,19,20).
What are the key properties of 1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine?
1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine has a molecular weight of 297.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 67113891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).