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

C13H13F3N4O — CID 19451435

IUPAC5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12
InChIInChI=1S/C13H13F3N4O/c1-2-17-12(21)8-6-18-20-10(13(14,15)16)5-9(7-3-4-7)19-11(8)20/h5-7H,2-4H2,1H3,(H,17,21)
InChIKeyFPWCVKPIYPUHKR-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.38
Rot. Bonds3

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

5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19451435) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19451435
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12
InChIInChI=1S/C13H13F3N4O/c1-2-17-12(21)8-6-18-20-10(13(14,15)16)5-9(7-3-4-7)19-11(8)20/h5-7H,2-4H2,1H3,(H,17,21)
InChIKeyFPWCVKPIYPUHKR-UHFFFAOYSA-N
XLogP2.38
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19449681
5-cyclopropyl-N-[1-(methoxymethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451430
N-(5-carbamoyl-1-methylpyrazol-4-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768932
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440935
N-(1-adamantyl)-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768048
N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451336
5-cyclopropyl-N-(4-ethoxy-2-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19449664
5-cyclopropyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440928
5-cyclopropyl-N-(2,6-dibromo-4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19449596
5-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451346
propyl 2-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19449636
5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451361

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19451435) is 5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCNC(=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FPWCVKPIYPUHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-2-17-12(21)8-6-18-20-10(13(14,15)16)5-9(7-3-4-7)19-11(8)20/h5-7H,2-4H2,1H3,(H,17,21).
What are the key properties of 5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19451435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).