5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C10H8F3N4O2P — CID 143588430

IUPAC5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=Cc1cc(C(=O)NCC(F)(F)F)n2ncc(P)c2n1
InChIInChI=1S/C10H8F3N4O2P/c11-10(12,13)4-14-9(19)6-1-5(3-18)16-8-7(20)2-15-17(6)8/h1-3H,4,20H2,(H,14,19)
InChIKeyQTBZVMCYHHPZJH-UHFFFAOYSA-N
MW304.17 g/mol
LogP0.33
Rot. Bonds3

About 5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 143588430) has the molecular formula C10H8F3N4O2P and a molecular weight of 304.17 g/mol. Its IUPAC name is 5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID143588430
Molecular FormulaC10H8F3N4O2P
Molecular Weight304.17 g/mol
Exact Mass304.03
IUPAC Name5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=Cc1cc(C(=O)NCC(F)(F)F)n2ncc(P)c2n1
InChIInChI=1S/C10H8F3N4O2P/c11-10(12,13)4-14-9(19)6-1-5(3-18)16-8-7(20)2-15-17(6)8/h1-3H,4,20H2,(H,14,19)
InChIKeyQTBZVMCYHHPZJH-UHFFFAOYSA-N
XLogP0.33
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-1H-pyrazole-5-carboxamide
CID 56878322
N-cyclohexyl-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 11381797
2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide
CID 58248809
N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(hydrazinecarbonyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 132190452
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(hydrazinecarbonyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 132190453
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(hydrazinecarbonyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 132190475
5-N-[(E)-2-methyl-3-(5-oxo-2-prop-2-enyl-4H-1,4-oxazin-3-yl)prop-2-enyl]-7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587604
5,7-bis(difluoromethyl)-N-(prop-2-en-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4776018
6-bromo-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17021638
N-cyclopentyl-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17095546
N-[2-(4-bromopyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19282830
5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19288469

Frequently Asked Questions

What is the IUPAC name of 5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 143588430) is 5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=Cc1cc(C(=O)NCC(F)(F)F)n2ncc(P)c2n1.
What is the InChIKey of 5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is QTBZVMCYHHPZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N4O2P/c11-10(12,13)4-14-9(19)6-1-5(3-18)16-8-7(20)2-15-17(6)8/h1-3H,4,20H2,(H,14,19).
What are the key properties of 5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 304.17 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 143588430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).