3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C8H5FN4O2 — CID 143588273

IUPAC3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESNC(=O)c1cc(C=O)nc2c(F)cnn12
InChIInChI=1S/C8H5FN4O2/c9-5-2-11-13-6(7(10)15)1-4(3-14)12-8(5)13/h1-3H,(H2,10,15)
InChIKeyQSTJPQBKGCQTQM-UHFFFAOYSA-N
MW208.15 g/mol
LogP-0.22
Rot. Bonds2

About 3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide

3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 143588273) has the molecular formula C8H5FN4O2 and a molecular weight of 208.15 g/mol. Its IUPAC name is 3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID143588273
Molecular FormulaC8H5FN4O2
Molecular Weight208.15 g/mol
Exact Mass208.04
IUPAC Name3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESNC(=O)c1cc(C=O)nc2c(F)cnn12
InChIInChI=1S/C8H5FN4O2/c9-5-2-11-13-6(7(10)15)1-4(3-14)12-8(5)13/h1-3H,(H2,10,15)
InChIKeyQSTJPQBKGCQTQM-UHFFFAOYSA-N
XLogP-0.22
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 671633
N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 69040087
7-Acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde
CID 88572780
3-Fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118679625
5-Fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118679627
(4,4-Difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
CID 110111975
5-N-[[2-(difluoromethyl)-5H-1,3-diazepin-4-yl]methyl]-7-N-[(3E,8E)-9-methyl-11-oxoundeca-3,8-dien-5-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143342111
7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143344929
3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 143588094
N-(2-bicyclo[1.1.0]but-1-enylmethylsulfanylmethyl)-3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 143588181
5-formyl-3-phosphanyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 143588430
7-Cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 70392839

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 143588273) is 3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide is NC(=O)c1cc(C=O)nc2c(F)cnn12.
What is the InChIKey of 3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is QSTJPQBKGCQTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4O2/c9-5-2-11-13-6(7(10)15)1-4(3-14)12-8(5)13/h1-3H,(H2,10,15).
What are the key properties of 3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 208.15 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 143588273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).