(5-amino-1-phenylpyrazol-4-yl)-phenylmethanone

C16H13N3O — CID 15311937

IUPAC(5-amino-1-phenylpyrazol-4-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C16H13N3O/c17-16-14(15(20)12-7-3-1-4-8-12)11-18-19(16)13-9-5-2-6-10-13/h1-11H,17H2
InChIKeyYMGWYPXWGVJIAJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.69
Rot. Bonds3

About (5-amino-1-phenylpyrazol-4-yl)-phenylmethanone

(5-amino-1-phenylpyrazol-4-yl)-phenylmethanone (PubChem CID 15311937) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (5-amino-1-phenylpyrazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-amino-1-phenylpyrazol-4-yl)-phenylmethanone
PubChem CID15311937
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(5-amino-1-phenylpyrazol-4-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C16H13N3O/c17-16-14(15(20)12-7-3-1-4-8-12)11-18-19(16)13-9-5-2-6-10-13/h1-11H,17H2
InChIKeyYMGWYPXWGVJIAJ-UHFFFAOYSA-N
XLogP2.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1-phenylpyrazol-4-yl)-phenylmethanone?
The IUPAC name of (5-amino-1-phenylpyrazol-4-yl)-phenylmethanone (CID 15311937) is (5-amino-1-phenylpyrazol-4-yl)-phenylmethanone.
What is the SMILES notation for (5-amino-1-phenylpyrazol-4-yl)-phenylmethanone?
The canonical SMILES for (5-amino-1-phenylpyrazol-4-yl)-phenylmethanone is Nc1c(C(=O)c2ccccc2)cnn1-c1ccccc1.
What is the InChIKey of (5-amino-1-phenylpyrazol-4-yl)-phenylmethanone?
The InChIKey is YMGWYPXWGVJIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-16-14(15(20)12-7-3-1-4-8-12)11-18-19(16)13-9-5-2-6-10-13/h1-11H,17H2.
What are the key properties of (5-amino-1-phenylpyrazol-4-yl)-phenylmethanone?
(5-amino-1-phenylpyrazol-4-yl)-phenylmethanone has a molecular weight of 263.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-phenylpyrazol-4-yl)-phenylmethanone is sourced from PubChem (CID 15311937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).