5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane

C67H58Cl4N22O6 — CID 161433576

IUPAC5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane
SMILESC.CCOC(=O)CC(C)=O.N#Cc1cnn2c(Cl)cc(Cl)nc12.N#Cc1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc12.N#Cc1cnn2c(O)cc(=O)[nH]c12.NC(=O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc12.[C-]#[N+]c1cn[nH]c1N
InChIInChI=1S/C21H18ClN5O.C21H16ClN5.C7H2Cl2N4.C7H4N4O2.C6H10O3.C4H4N4.CH4/c22-18-11-19(27-21(25-18)17(12-24-27)20(23)28)26(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;22-19-11-20(27-21(25-19)18(12-23)13-24-27)26(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17;8-5-1-6(9)13-7(12-5)4(2-10)3-11-13;8-2-4-3-9-11-6(13)1-5(12)10-7(4)11;1-3-9-6(8)4-5(2)7;1-6-3-2-7-8-4(3)5;/h1-12H,13-14H2,(H2,23,28);1-11,13H,14-15H2;1,3H;1,3,13H,(H,10,12);3-4H2,1-2H3;2H,(H3,5,7,8);1H4
InChIKeyVYIMTJGRECVVPH-UHFFFAOYSA-N
MW1409.16 g/mol
LogP11.36
Rot. Bonds14

About 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane

5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane (PubChem CID 161433576) has the molecular formula C67H58Cl4N22O6 and a molecular weight of 1409.16 g/mol. Its IUPAC name is 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane.

Molecular Properties

Compound Name5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane
PubChem CID161433576
Molecular FormulaC67H58Cl4N22O6
Molecular Weight1409.16 g/mol
Exact Mass1406.37
IUPAC Name5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane
SMILESC.CCOC(=O)CC(C)=O.N#Cc1cnn2c(Cl)cc(Cl)nc12.N#Cc1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc12.N#Cc1cnn2c(O)cc(=O)[nH]c12.NC(=O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc12.[C-]#[N+]c1cn[nH]c1N
InChIInChI=1S/C21H18ClN5O.C21H16ClN5.C7H2Cl2N4.C7H4N4O2.C6H10O3.C4H4N4.CH4/c22-18-11-19(27-21(25-18)17(12-24-27)20(23)28)26(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;22-19-11-20(27-21(25-19)18(12-23)13-24-27)26(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17;8-5-1-6(9)13-7(12-5)4(2-10)3-11-13;8-2-4-3-9-11-6(13)1-5(12)10-7(4)11;1-3-9-6(8)4-5(2)7;1-6-3-2-7-8-4(3)5;/h1-12H,13-14H2,(H2,23,28);1-11,13H,14-15H2;1,3H;1,3,13H,(H,10,12);3-4H2,1-2H3;2H,(H3,5,7,8);1H4
InChIKeyVYIMTJGRECVVPH-UHFFFAOYSA-N
XLogP11.36
TPSA384.33 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001409.16
LogP ≤ 511.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane with MolForge

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Related Compounds

7-amino-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(3S)-1-(4-amino-6-methyl-2-pyridinyl)piperidin-3-ol;1-[5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-(dibenzylamino)-5-[[2-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-4-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methane
CID 162007090
(5-chloro-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl) N-[(3-fluorophenyl)methyl]carbamate
CID 155104431
benzonitrile;ethyl 3-oxobutanoate
CID 174248493
benzyl benzoate;ethyl 3-oxobutanoate
CID 174984121
5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155104401
ethyl 3-(2-cyanoanilino)-3-oxopropanoate
CID 14663489
6-[3-(benzylamino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737265
ethyl 3-[(8-cyano-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate
CID 166366673
6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736989
N-tert-butyl-N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-oxobutanamide
CID 87173811
ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate
CID 134098616
tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(trideuteriomethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;ethyl 5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 167594851

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane?
The IUPAC name of 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane (CID 161433576) is 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane.
What is the SMILES notation for 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane?
The canonical SMILES for 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane is C.CCOC(=O)CC(C)=O.N#Cc1cnn2c(Cl)cc(Cl)nc12.N#Cc1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc12.N#Cc1cnn2c(O)cc(=O)[nH]c12.NC(=O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc12.[C-]#[N+]c1cn[nH]c1N.
What is the InChIKey of 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane?
The InChIKey is VYIMTJGRECVVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O.C21H16ClN5.C7H2Cl2N4.C7H4N4O2.C6H10O3.C4H4N4.CH4/c22-18-11-19(27-21(25-18)17(12-24-27)20(23)28)26(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;22-19-11-20(27-21(25-19)18(12-23)13-24-27)26(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17;8-5-1-6(9)13-7(12-5)4(2-10)3-11-13;8-2-4-3-9-11-6(13)1-5(12)10-7(4)11;1-3-9-6(8)4-5(2)7;1-6-3-2-7-8-4(3)5;/h1-12H,13-14H2,(H2,23,28);1-11,13H,14-15H2;1,3H;1,3,13H,(H,10,12);3-4H2,1-2H3;2H,(H3,5,7,8);1H4.
What are the key properties of 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane?
5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane has a molecular weight of 1409.16 g/mol, XLogP of 11.36, 14 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;ethyl 3-oxobutanoate;7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;4-isocyano-1H-pyrazol-5-amine;methane is sourced from PubChem (CID 161433576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).