[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone

C17H15N3O2 — CID 11601759

IUPAC[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone
SMILESCOc1ccc(-n2ncc(C(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)20-17(18)15(11-19-20)16(21)12-5-3-2-4-6-12/h2-11H,18H2,1H3
InChIKeyVUJADEWYMKRZLQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.69
Rot. Bonds4

About [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone

[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone (PubChem CID 11601759) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone
PubChem CID11601759
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone
SMILESCOc1ccc(-n2ncc(C(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)20-17(18)15(11-19-20)16(21)12-5-3-2-4-6-12/h2-11H,18H2,1H3
InChIKeyVUJADEWYMKRZLQ-UHFFFAOYSA-N
XLogP2.69
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone?
The IUPAC name of [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone (CID 11601759) is [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone.
What is the SMILES notation for [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone?
The canonical SMILES for [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone is COc1ccc(-n2ncc(C(=O)c3ccccc3)c2N)cc1.
What is the InChIKey of [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone?
The InChIKey is VUJADEWYMKRZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)20-17(18)15(11-19-20)16(21)12-5-3-2-4-6-12/h2-11H,18H2,1H3.
What are the key properties of [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone?
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone has a molecular weight of 293.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-phenylmethanone is sourced from PubChem (CID 11601759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).