1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine

C17H17N3O — CID 134306308

IUPAC1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine
SMILESCOc1ccc(Cn2nc(-c3ccccc3)cc2N)cc1
InChIInChI=1S/C17H17N3O/c1-21-15-9-7-13(8-10-15)12-20-17(18)11-16(19-20)14-5-3-2-4-6-14/h2-11H,12,18H2,1H3
InChIKeyOZSRNCRKSHCOAJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.19
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine

1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine (PubChem CID 134306308) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine
PubChem CID134306308
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine
SMILESCOc1ccc(Cn2nc(-c3ccccc3)cc2N)cc1
InChIInChI=1S/C17H17N3O/c1-21-15-9-7-13(8-10-15)12-20-17(18)11-16(19-20)14-5-3-2-4-6-14/h2-11H,12,18H2,1H3
InChIKeyOZSRNCRKSHCOAJ-UHFFFAOYSA-N
XLogP3.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine (CID 134306308) is 1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine is COc1ccc(Cn2nc(-c3ccccc3)cc2N)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine?
The InChIKey is OZSRNCRKSHCOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-15-9-7-13(8-10-15)12-20-17(18)11-16(19-20)14-5-3-2-4-6-14/h2-11H,12,18H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine?
1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine has a molecular weight of 279.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine is sourced from PubChem (CID 134306308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).