1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine

C16H14FN3O — CID 83205397

IUPAC1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine
SMILESCOc1ccc(-c2nn(-c3ccccc3F)cc2N)cc1
InChIInChI=1S/C16H14FN3O/c1-21-12-8-6-11(7-9-12)16-14(18)10-20(19-16)15-5-3-2-4-13(15)17/h2-10H,18H2,1H3
InChIKeyXKOLHGWKQUROBX-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.27
Rot. Bonds3

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

1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine (PubChem CID 83205397) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine
PubChem CID83205397
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine
SMILESCOc1ccc(-c2nn(-c3ccccc3F)cc2N)cc1
InChIInChI=1S/C16H14FN3O/c1-21-12-8-6-11(7-9-12)16-14(18)10-20(19-16)15-5-3-2-4-13(15)17/h2-10H,18H2,1H3
InChIKeyXKOLHGWKQUROBX-UHFFFAOYSA-N
XLogP3.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine (CID 83205397) is 1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine is COc1ccc(-c2nn(-c3ccccc3F)cc2N)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine?
The InChIKey is XKOLHGWKQUROBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-21-12-8-6-11(7-9-12)16-14(18)10-20(19-16)15-5-3-2-4-13(15)17/h2-10H,18H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine?
1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine has a molecular weight of 283.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine is sourced from PubChem (CID 83205397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).