5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H14F5N5O4 — CID 19447441

IUPAC5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cc(OCC(F)F)cc([N+](=O)[O-])c1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H14F5N5O4/c20-16(21)8-33-12-4-10(3-11(5-12)29(31)32)25-18(30)14-7-17-26-13(9-1-2-9)6-15(19(22,23)24)28(17)27-14/h3-7,9,16H,1-2,8H2,(H,25,30)
InChIKeyUILJQPXPDWVUBD-UHFFFAOYSA-N
MW471.34 g/mol
LogP4.43
Rot. Bonds7

About 5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19447441) has the molecular formula C19H14F5N5O4 and a molecular weight of 471.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19447441
Molecular FormulaC19H14F5N5O4
Molecular Weight471.34 g/mol
Exact Mass471.10
IUPAC Name5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cc(OCC(F)F)cc([N+](=O)[O-])c1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H14F5N5O4/c20-16(21)8-33-12-4-10(3-11(5-12)29(31)32)25-18(30)14-7-17-26-13(9-1-2-9)6-15(19(22,23)24)28(17)27-14/h3-7,9,16H,1-2,8H2,(H,25,30)
InChIKeyUILJQPXPDWVUBD-UHFFFAOYSA-N
XLogP4.43
TPSA111.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-ethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447376
N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457761
5-methyl-N-[3-(2-methylphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449406
5-tert-butyl-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466281
5-cyclopropyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451295
N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449429
N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide
CID 19474596
5-(4-fluorophenyl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453414
5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455605
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19408777
methyl 2-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]acetate
CID 19447457
5-(4-fluorophenyl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451804

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19447441) is 5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cc(OCC(F)F)cc([N+](=O)[O-])c1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UILJQPXPDWVUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N5O4/c20-16(21)8-33-12-4-10(3-11(5-12)29(31)32)25-18(30)14-7-17-26-13(9-1-2-9)6-15(19(22,23)24)28(17)27-14/h3-7,9,16H,1-2,8H2,(H,25,30).
What are the key properties of 5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 471.34 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19447441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).