(1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone

C13H10N4O — CID 114990512

IUPAC(1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H10N4O/c18-13(10-6-14-15-7-10)11-8-16-17(9-11)12-4-2-1-3-5-12/h1-9H,(H,14,15)
InChIKeyZTZHZKLYXNCTQG-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.83
Rot. Bonds3

About (1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone

(1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 114990512) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID114990512
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name(1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H10N4O/c18-13(10-6-14-15-7-10)11-8-16-17(9-11)12-4-2-1-3-5-12/h1-9H,(H,14,15)
InChIKeyZTZHZKLYXNCTQG-UHFFFAOYSA-N
XLogP1.83
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
CID 43429648
(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone
CID 43463443
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 43340191
(5-fluoro-3-pyridinyl)-(1-phenylpyrazol-4-yl)methanone
CID 105081916
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone
CID 105132583
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 105120280
(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 10757758
4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322472
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone (CID 114990512) is (1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is ZTZHZKLYXNCTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13(10-6-14-15-7-10)11-8-16-17(9-11)12-4-2-1-3-5-12/h1-9H,(H,14,15).
What are the key properties of (1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone?
(1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 238.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 114990512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).