6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate

C7H3FN3O2- — CID 59152070

IUPAC6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESO=C([O-])c1cnn2cc(F)cnc12
InChIInChI=1S/C7H4FN3O2/c8-4-1-9-6-5(7(12)13)2-10-11(6)3-4/h1-3H,(H,12,13)/p-1
InChIKeyJMJYLAGSNGCHNP-UHFFFAOYSA-M
MW180.12 g/mol
LogP-0.77
Rot. Bonds1

About 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate

6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 59152070) has the molecular formula C7H3FN3O2- and a molecular weight of 180.12 g/mol. Its IUPAC name is 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID59152070
Molecular FormulaC7H3FN3O2-
Molecular Weight180.12 g/mol
Exact Mass180.02
IUPAC Name6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESO=C([O-])c1cnn2cc(F)cnc12
InChIInChI=1S/C7H4FN3O2/c8-4-1-9-6-5(7(12)13)2-10-11(6)3-4/h1-3H,(H,12,13)/p-1
InChIKeyJMJYLAGSNGCHNP-UHFFFAOYSA-M
XLogP-0.77
TPSA70.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6485410
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 1910189
Ethyl pyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 7021267
6-Bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 25220793
3,6-Diethyl 7-aminopyrazolo(1,5-a)pyrimidine-3,6-dicarboxylate
CID 2816389
Ethyl 6-formylpyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 46779155
Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 19883261
7-Amino[1.2.4]triazolo[1.5-a]pyrimidine-6-carboxylic acid
CID 25219471
Ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
6-Formylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50989583
6-Bromopyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 54593562
6-Carbamoylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 66664490

Frequently Asked Questions

What is the IUPAC name of 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 59152070) is 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate is O=C([O-])c1cnn2cc(F)cnc12.
What is the InChIKey of 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is JMJYLAGSNGCHNP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4FN3O2/c8-4-1-9-6-5(7(12)13)2-10-11(6)3-4/h1-3H,(H,12,13)/p-1.
What are the key properties of 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate?
6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 180.12 g/mol, XLogP of -0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 59152070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).