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

C17H17N3O — CID 4052140

IUPAC1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
SMILESCOc1ccc(-n2nc(-c3cccc(C)c3)cc2N)cc1
InChIInChI=1S/C17H17N3O/c1-12-4-3-5-13(10-12)16-11-17(18)20(19-16)14-6-8-15(21-2)9-7-14/h3-11H,18H2,1-2H3
InChIKeyDDPOWZJAQLPXKX-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds3

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

1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine (PubChem CID 4052140) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
PubChem CID4052140
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
SMILESCOc1ccc(-n2nc(-c3cccc(C)c3)cc2N)cc1
InChIInChI=1S/C17H17N3O/c1-12-4-3-5-13(10-12)16-11-17(18)20(19-16)14-6-8-15(21-2)9-7-14/h3-11H,18H2,1-2H3
InChIKeyDDPOWZJAQLPXKX-UHFFFAOYSA-N
XLogP3.44
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine (CID 4052140) is 1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine is COc1ccc(-n2nc(-c3cccc(C)c3)cc2N)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine?
The InChIKey is DDPOWZJAQLPXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-4-3-5-13(10-12)16-11-17(18)20(19-16)14-6-8-15(21-2)9-7-14/h3-11H,18H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine?
1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine has a molecular weight of 279.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 4052140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).