7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine

C81H73ClF9N17O7 — CID 159988583

IUPAC7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine
SMILESCCOC(=O)C(F)C(C)=O.Cc1nc2c(CN3CC(C=C(F)F)CC3=O)c(-c3ccccc3)nn2cc1F.Cc1nc2cc(-c3ccccc3)[nH]n2c(=O)c1F.Cc1nc2cc(-c3ccccc3)nn2c(Cl)c1F.Cc1nc2cc(-c3ccccc3)nn2cc1F.Nc1cc(-c2ccccc2)[nH]n1.O=C1CC(C=C(F)F)CN1CO
InChIInChI=1S/C20H17F3N4O.C13H9ClFN3.C13H10FN3O.C13H10FN3.C9H9N3.C7H9F2NO2.C6H9FO3/c1-12-16(21)11-27-20(24-12)15(19(25-27)14-5-3-2-4-6-14)10-26-9-13(7-17(22)23)8-18(26)28;1-8-12(15)13(14)18-11(16-8)7-10(17-18)9-5-3-2-4-6-9;1-8-12(14)13(18)17-11(15-8)7-10(16-17)9-5-3-2-4-6-9;1-9-11(14)8-17-13(15-9)7-12(16-17)10-5-3-2-4-6-10;10-9-6-8(11-12-9)7-4-2-1-3-5-7;8-6(9)1-5-2-7(12)10(3-5)4-11;1-3-10-6(9)5(7)4(2)8/h2-7,11,13H,8-10H2,1H3;2-7H,1H3;2-7,16H,1H3;2-8H,1H3;1-6H,(H3,10,11,12);1,5,11H,2-4H2;5H,3H2,1-2H3
InChIKeyFRGDNFVWSBHWMR-UHFFFAOYSA-N
MW1603.02 g/mol
LogP15.15
Rot. Bonds13

About 7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine

7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine (PubChem CID 159988583) has the molecular formula C81H73ClF9N17O7 and a molecular weight of 1603.02 g/mol. Its IUPAC name is 7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine
PubChem CID159988583
Molecular FormulaC81H73ClF9N17O7
Molecular Weight1603.02 g/mol
Exact Mass1601.54
IUPAC Name7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine
SMILESCCOC(=O)C(F)C(C)=O.Cc1nc2c(CN3CC(C=C(F)F)CC3=O)c(-c3ccccc3)nn2cc1F.Cc1nc2cc(-c3ccccc3)[nH]n2c(=O)c1F.Cc1nc2cc(-c3ccccc3)nn2c(Cl)c1F.Cc1nc2cc(-c3ccccc3)nn2cc1F.Nc1cc(-c2ccccc2)[nH]n1.O=C1CC(C=C(F)F)CN1CO
InChIInChI=1S/C20H17F3N4O.C13H9ClFN3.C13H10FN3O.C13H10FN3.C9H9N3.C7H9F2NO2.C6H9FO3/c1-12-16(21)11-27-20(24-12)15(19(25-27)14-5-3-2-4-6-14)10-26-9-13(7-17(22)23)8-18(26)28;1-8-12(15)13(14)18-11(16-8)7-10(17-18)9-5-3-2-4-6-9;1-8-12(14)13(18)17-11(15-8)7-10(16-17)9-5-3-2-4-6-9;1-9-11(14)8-17-13(15-9)7-12(16-17)10-5-3-2-4-6-10;10-9-6-8(11-12-9)7-4-2-1-3-5-7;8-6(9)1-5-2-7(12)10(3-5)4-11;1-3-10-6(9)5(7)4(2)8/h2-7,11,13H,8-10H2,1H3;2-7H,1H3;2-7,16H,1H3;2-8H,1H3;1-6H,(H3,10,11,12);1,5,11H,2-4H2;5H,3H2,1-2H3
InChIKeyFRGDNFVWSBHWMR-UHFFFAOYSA-N
XLogP15.15
TPSA299.65 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001603.02
LogP ≤ 515.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine with MolForge

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Related Compounds

4-chloro-5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine;N-[5,6-dimethyl-2-(2-methylphenyl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;4,5-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one;ethyl 2-methyl-3-oxobutanoate;5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;phosphoryl trichloride;2-(trifluoromethyl)benzenecarboximidamide
CID 161331143
3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine
CID 157334628
7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;4-methyl-5-phenyl-1H-pyrazol-3-amine
CID 157692577
3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride
CID 159802283
acetic acid;7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;ethyl 3-(2-fluorophenyl)-3-oxopropanoate;5-(2-fluorophenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-(2-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;phosphoryl trichloride;pyridin-4-amine;1H-1,2,4-triazol-5-amine
CID 162235261

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine?
The IUPAC name of 7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine (CID 159988583) is 7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for 7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine is CCOC(=O)C(F)C(C)=O.Cc1nc2c(CN3CC(C=C(F)F)CC3=O)c(-c3ccccc3)nn2cc1F.Cc1nc2cc(-c3ccccc3)[nH]n2c(=O)c1F.Cc1nc2cc(-c3ccccc3)nn2c(Cl)c1F.Cc1nc2cc(-c3ccccc3)nn2cc1F.Nc1cc(-c2ccccc2)[nH]n1.O=C1CC(C=C(F)F)CN1CO.
What is the InChIKey of 7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine?
The InChIKey is FRGDNFVWSBHWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O.C13H9ClFN3.C13H10FN3O.C13H10FN3.C9H9N3.C7H9F2NO2.C6H9FO3/c1-12-16(21)11-27-20(24-12)15(19(25-27)14-5-3-2-4-6-14)10-26-9-13(7-17(22)23)8-18(26)28;1-8-12(15)13(14)18-11(16-8)7-10(17-18)9-5-3-2-4-6-9;1-8-12(14)13(18)17-11(15-8)7-10(16-17)9-5-3-2-4-6-9;1-9-11(14)8-17-13(15-9)7-12(16-17)10-5-3-2-4-6-10;10-9-6-8(11-12-9)7-4-2-1-3-5-7;8-6(9)1-5-2-7(12)10(3-5)4-11;1-3-10-6(9)5(7)4(2)8/h2-7,11,13H,8-10H2,1H3;2-7H,1H3;2-7,16H,1H3;2-8H,1H3;1-6H,(H3,10,11,12);1,5,11H,2-4H2;5H,3H2,1-2H3.
What are the key properties of 7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine?
7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine has a molecular weight of 1603.02 g/mol, XLogP of 15.15, 13 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;4-(2,2-difluoroethenyl)-1-[(6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-one;4-(2,2-difluoroethenyl)-1-(hydroxymethyl)pyrrolidin-2-one;ethyl 2-fluoro-3-oxobutanoate;6-fluoro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine;6-fluoro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 159988583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).