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

C18H14F2N6O5 — CID 19455605

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c([N+](=O)[O-])cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H14F2N6O5/c1-8-13(25(28)29)4-10(5-14(8)26(30)31)21-18(27)12-7-16-22-11(9-2-3-9)6-15(17(19)20)24(16)23-12/h4-7,9,17H,2-3H2,1H3,(H,21,27)
InChIKeyKIBWLXCDHZLAIT-UHFFFAOYSA-N
MW432.34 g/mol
LogP3.92
Rot. Bonds6

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

5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19455605) has the molecular formula C18H14F2N6O5 and a molecular weight of 432.34 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19455605
Molecular FormulaC18H14F2N6O5
Molecular Weight432.34 g/mol
Exact Mass432.10
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c([N+](=O)[O-])cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H14F2N6O5/c1-8-13(25(28)29)4-10(5-14(8)26(30)31)21-18(27)12-7-16-22-11(9-2-3-9)6-15(17(19)20)24(16)23-12/h4-7,9,17H,2-3H2,1H3,(H,21,27)
InChIKeyKIBWLXCDHZLAIT-UHFFFAOYSA-N
XLogP3.92
TPSA145.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453862
5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453911
7-[chloro(difluoro)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458118
N-butan-2-yl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455534
5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455555
5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455649
5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455610
N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4768700
5-cyclopropyl-7-(difluoromethyl)-N-(4-fluoro-3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020711
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
5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4771847
2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-2-phenylacetic acid
CID 19583383

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19455605) is 5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1c([N+](=O)[O-])cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)cc1[N+](=O)[O-].
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is KIBWLXCDHZLAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O5/c1-8-13(25(28)29)4-10(5-14(8)26(30)31)21-18(27)12-7-16-22-11(9-2-3-9)6-15(17(19)20)24(16)23-12/h4-7,9,17H,2-3H2,1H3,(H,21,27).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 432.34 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19455605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).