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

C17H17N3O — CID 83204322

IUPAC3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2N)cc1
InChIInChI=1S/C17H17N3O/c1-12-5-3-4-6-16(12)20-11-15(18)17(19-20)13-7-9-14(21-2)10-8-13/h3-11H,18H2,1-2H3
InChIKeyNIVMDAVMMLNSBO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds3

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

3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine (PubChem CID 83204322) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine
PubChem CID83204322
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2N)cc1
InChIInChI=1S/C17H17N3O/c1-12-5-3-4-6-16(12)20-11-15(18)17(19-20)13-7-9-14(21-2)10-8-13/h3-11H,18H2,1-2H3
InChIKeyNIVMDAVMMLNSBO-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 3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine (CID 83204322) is 3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine is COc1ccc(-c2nn(-c3ccccc3C)cc2N)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine?
The InChIKey is NIVMDAVMMLNSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-5-3-4-6-16(12)20-11-15(18)17(19-20)13-7-9-14(21-2)10-8-13/h3-11H,18H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine?
3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-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 3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83204322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).