1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine

C17H17N3O — CID 14838481

IUPAC1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine
SMILESCOc1ccc(Nc2ccn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3O/c1-21-16-9-7-15(8-10-16)18-17-11-12-20(19-17)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,18,19)
InChIKeyXITDNKSONMUDPZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.68
Rot. Bonds5

About 1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine

1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine (PubChem CID 14838481) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine
PubChem CID14838481
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine
SMILESCOc1ccc(Nc2ccn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3O/c1-21-16-9-7-15(8-10-16)18-17-11-12-20(19-17)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,18,19)
InChIKeyXITDNKSONMUDPZ-UHFFFAOYSA-N
XLogP3.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine?
The IUPAC name of 1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine (CID 14838481) is 1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine?
The canonical SMILES for 1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine is COc1ccc(Nc2ccn(Cc3ccccc3)n2)cc1.
What is the InChIKey of 1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine?
The InChIKey is XITDNKSONMUDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-16-9-7-15(8-10-16)18-17-11-12-20(19-17)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,18,19).
What are the key properties of 1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine?
1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine has a molecular weight of 279.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-methoxyphenyl)pyrazol-3-amine is sourced from PubChem (CID 14838481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).