3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine

C16H14ClN3O — CID 4226230

IUPAC3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2N)cc1
InChIInChI=1S/C16H14ClN3O/c1-21-14-8-6-13(7-9-14)20-16(18)10-15(19-20)11-2-4-12(17)5-3-11/h2-10H,18H2,1H3
InChIKeyQTQACLHBWHXSHS-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.78
Rot. Bonds3

About 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine

3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine (PubChem CID 4226230) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine
PubChem CID4226230
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2N)cc1
InChIInChI=1S/C16H14ClN3O/c1-21-14-8-6-13(7-9-14)20-16(18)10-15(19-20)11-2-4-12(17)5-3-11/h2-10H,18H2,1H3
InChIKeyQTQACLHBWHXSHS-UHFFFAOYSA-N
XLogP3.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine (CID 4226230) is 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine is COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2N)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine?
The InChIKey is QTQACLHBWHXSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-21-14-8-6-13(7-9-14)20-16(18)10-15(19-20)11-2-4-12(17)5-3-11/h2-10H,18H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine?
3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine has a molecular weight of 299.76 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 4226230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).