(4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone

C16H13N3O — CID 13303395

IUPAC(4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone
SMILESNc1c(-c2ccccc2)n[nH]c1C(=O)c1ccccc1
InChIInChI=1S/C16H13N3O/c17-13-14(11-7-3-1-4-8-11)18-19-15(13)16(20)12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19)
InChIKeySTVINDVPSJHLHS-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.89
Rot. Bonds3

About (4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone

(4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone (PubChem CID 13303395) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone
PubChem CID13303395
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone
SMILESNc1c(-c2ccccc2)n[nH]c1C(=O)c1ccccc1
InChIInChI=1S/C16H13N3O/c17-13-14(11-7-3-1-4-8-11)18-19-15(13)16(20)12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19)
InChIKeySTVINDVPSJHLHS-UHFFFAOYSA-N
XLogP2.89
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone?
The IUPAC name of (4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone (CID 13303395) is (4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone.
What is the SMILES notation for (4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone?
The canonical SMILES for (4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone is Nc1c(-c2ccccc2)n[nH]c1C(=O)c1ccccc1.
What is the InChIKey of (4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone?
The InChIKey is STVINDVPSJHLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-13-14(11-7-3-1-4-8-11)18-19-15(13)16(20)12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19).
What are the key properties of (4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone?
(4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone has a molecular weight of 263.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone is sourced from PubChem (CID 13303395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).