7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H10N6O — CID 171933668

IUPAC7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)nn2c(N)cc(=O)[nH]c12
InChIInChI=1S/C13H10N6O/c14-7-9-12(16-8-4-2-1-3-5-8)18-19-10(15)6-11(20)17-13(9)19/h1-6H,15H2,(H,16,18)(H,17,20)
InChIKeyLXABTHJGYWOXPI-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.22
Rot. Bonds2

About 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 171933668) has the molecular formula C13H10N6O and a molecular weight of 266.26 g/mol. Its IUPAC name is 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID171933668
Molecular FormulaC13H10N6O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)nn2c(N)cc(=O)[nH]c12
InChIInChI=1S/C13H10N6O/c14-7-9-12(16-8-4-2-1-3-5-8)18-19-10(15)6-11(20)17-13(9)19/h1-6H,15H2,(H,16,18)(H,17,20)
InChIKeyLXABTHJGYWOXPI-UHFFFAOYSA-N
XLogP1.22
TPSA112.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide
CID 2440126
N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-2-(diethylamino)acetamide
CID 2816486
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-phenylurea
CID 2818791
4-(Difluoromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135646605
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4(1H)-one
CID 135433800
3,4,5-Trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135422706
2-amino-3-[(3-fluorophenyl)diazenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5(4H)-one
CID 135458583
3,4-dimethyl-1-(4-methylphenyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135476868
2-[5-(4-fluoroanilino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162648598

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 171933668) is 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c(Nc2ccccc2)nn2c(N)cc(=O)[nH]c12.
What is the InChIKey of 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is LXABTHJGYWOXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O/c14-7-9-12(16-8-4-2-1-3-5-8)18-19-10(15)6-11(20)17-13(9)19/h1-6H,15H2,(H,16,18)(H,17,20).
What are the key properties of 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 266.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 171933668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).