5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H12Cl2F2N4O — CID 19453862

IUPAC5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C17H12Cl2F2N4O/c18-10-4-3-9(5-11(10)19)22-17(26)13-7-15-23-12(8-1-2-8)6-14(16(20)21)25(15)24-13/h3-8,16H,1-2H2,(H,22,26)
InChIKeyYUTOHPJXHVRFIC-UHFFFAOYSA-N
MW397.21 g/mol
LogP5.10
Rot. Bonds4

About 5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19453862) has the molecular formula C17H12Cl2F2N4O and a molecular weight of 397.21 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19453862
Molecular FormulaC17H12Cl2F2N4O
Molecular Weight397.21 g/mol
Exact Mass396.04
IUPAC Name5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C17H12Cl2F2N4O/c18-10-4-3-9(5-11(10)19)22-17(26)13-7-15-23-12(8-1-2-8)6-14(16(20)21)25(15)24-13/h3-8,16H,1-2H2,(H,22,26)
InChIKeyYUTOHPJXHVRFIC-UHFFFAOYSA-N
XLogP5.10
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.21
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453911
5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455649
5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455605
N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 998467
5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455555
N-butan-2-yl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455534
5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4771847
5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455610
5,7-bis(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447565
7-(difluoromethyl)-N-(3,4-dimethylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166091727
propan-2-yl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19453874
5-cyclopropyl-7-(difluoromethyl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455693

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19453862) is 5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2nc(C3CC3)cc(C(F)F)n2n1.
What is the InChIKey of 5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YUTOHPJXHVRFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F2N4O/c18-10-4-3-9(5-11(10)19)22-17(26)13-7-15-23-12(8-1-2-8)6-14(16(20)21)25(15)24-13/h3-8,16H,1-2H2,(H,22,26).
What are the key properties of 5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 397.21 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19453862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).