5-amino-1-benzoylpyrazole-3,4-dicarbonitrile

C12H7N5O — CID 569467

IUPAC5-amino-1-benzoylpyrazole-3,4-dicarbonitrile
SMILESN#Cc1nn(C(=O)c2ccccc2)c(N)c1C#N
InChIInChI=1S/C12H7N5O/c13-6-9-10(7-14)16-17(11(9)15)12(18)8-4-2-1-3-5-8/h1-5H,15H2
InChIKeyUQWDIGVBCSPLAK-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.90
Rot. Bonds1

About 5-amino-1-benzoylpyrazole-3,4-dicarbonitrile

5-amino-1-benzoylpyrazole-3,4-dicarbonitrile (PubChem CID 569467) has the molecular formula C12H7N5O and a molecular weight of 237.22 g/mol. Its IUPAC name is 5-amino-1-benzoylpyrazole-3,4-dicarbonitrile.

Molecular Properties

Compound Name5-amino-1-benzoylpyrazole-3,4-dicarbonitrile
PubChem CID569467
Molecular FormulaC12H7N5O
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name5-amino-1-benzoylpyrazole-3,4-dicarbonitrile
SMILESN#Cc1nn(C(=O)c2ccccc2)c(N)c1C#N
InChIInChI=1S/C12H7N5O/c13-6-9-10(7-14)16-17(11(9)15)12(18)8-4-2-1-3-5-8/h1-5H,15H2
InChIKeyUQWDIGVBCSPLAK-UHFFFAOYSA-N
XLogP0.90
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 2320453
N1-[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 2818808
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 135753057
5-Amino-1-(4-methylbenzoyl)pyrazole-3,4-dicarbonitrile
CID 930702
Benzamide, N-(1,3-dimethyl-1H-pyrazol-5-yl)-
CID 2818761
N1-[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 2818809
N-(1-tert-butyl-4-cyano-3-methylpyrazol-5-yl)benzamide
CID 2818816
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135731871
4-cyano-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 24981324
1-benzoyl-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867801
4-cyano-N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 24981322
4-methyl-N-(3-methyl-1-(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)benzamide
CID 135753208

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzoylpyrazole-3,4-dicarbonitrile?
The IUPAC name of 5-amino-1-benzoylpyrazole-3,4-dicarbonitrile (CID 569467) is 5-amino-1-benzoylpyrazole-3,4-dicarbonitrile.
What is the SMILES notation for 5-amino-1-benzoylpyrazole-3,4-dicarbonitrile?
The canonical SMILES for 5-amino-1-benzoylpyrazole-3,4-dicarbonitrile is N#Cc1nn(C(=O)c2ccccc2)c(N)c1C#N.
What is the InChIKey of 5-amino-1-benzoylpyrazole-3,4-dicarbonitrile?
The InChIKey is UQWDIGVBCSPLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5O/c13-6-9-10(7-14)16-17(11(9)15)12(18)8-4-2-1-3-5-8/h1-5H,15H2.
What are the key properties of 5-amino-1-benzoylpyrazole-3,4-dicarbonitrile?
5-amino-1-benzoylpyrazole-3,4-dicarbonitrile has a molecular weight of 237.22 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzoylpyrazole-3,4-dicarbonitrile is sourced from PubChem (CID 569467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).