[5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone

C17H15N3O — CID 11716060

IUPAC[5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone
SMILESCc1ccccc1-n1ncc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C17H15N3O/c1-12-7-5-6-10-15(12)20-17(18)14(11-19-20)16(21)13-8-3-2-4-9-13/h2-11H,18H2,1H3
InChIKeyWYGCUSHOHRVKKS-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.99
Rot. Bonds3

About [5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone

[5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone (PubChem CID 11716060) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is [5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone
PubChem CID11716060
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name[5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone
SMILESCc1ccccc1-n1ncc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C17H15N3O/c1-12-7-5-6-10-15(12)20-17(18)14(11-19-20)16(21)13-8-3-2-4-9-13/h2-11H,18H2,1H3
InChIKeyWYGCUSHOHRVKKS-UHFFFAOYSA-N
XLogP2.99
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone?
The IUPAC name of [5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone (CID 11716060) is [5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone.
What is the SMILES notation for [5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone?
The canonical SMILES for [5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone is Cc1ccccc1-n1ncc(C(=O)c2ccccc2)c1N.
What is the InChIKey of [5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone?
The InChIKey is WYGCUSHOHRVKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-7-5-6-10-15(12)20-17(18)14(11-19-20)16(21)13-8-3-2-4-9-13/h2-11H,18H2,1H3.
What are the key properties of [5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone?
[5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone has a molecular weight of 277.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-methylphenyl)pyrazol-4-yl]-phenylmethanone is sourced from PubChem (CID 11716060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).