3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine

C11H10FN3 — CID 145003451

IUPAC3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine
SMILESC=CC1CC1c1cnn2cc(F)cnc12
InChIInChI=1S/C11H10FN3/c1-2-7-3-9(7)10-5-14-15-6-8(12)4-13-11(10)15/h2,4-7,9H,1,3H2
InChIKeyAVXCVRCYRAOBGT-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.16
Rot. Bonds2

About 3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine

3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine (PubChem CID 145003451) has the molecular formula C11H10FN3 and a molecular weight of 203.22 g/mol. Its IUPAC name is 3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine
PubChem CID145003451
Molecular FormulaC11H10FN3
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Name3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine
SMILESC=CC1CC1c1cnn2cc(F)cnc12
InChIInChI=1S/C11H10FN3/c1-2-7-3-9(7)10-5-14-15-6-8(12)4-13-11(10)15/h2,4-7,9H,1,3H2
InChIKeyAVXCVRCYRAOBGT-UHFFFAOYSA-N
XLogP2.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine
CID 1485522
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
6-Fluoro-3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 118410783
3-(1,1,2-Trifluoroethyl)pyrazolo[1,5-a]pyrimidine
CID 139608471
N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141150483
2-Fluoro-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 145436390
6-Tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine
CID 146435520
6-(4-Fluoro-4,6-dimethylcyclohexen-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 163930233
3-Tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine
CID 164955557
2-Chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine
CID 172591551
4-(4-Butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine
CID 172592519
3-(Piperidin-4-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 174285978

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine (CID 145003451) is 3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine is C=CC1CC1c1cnn2cc(F)cnc12.
What is the InChIKey of 3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine?
The InChIKey is AVXCVRCYRAOBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3/c1-2-7-3-9(7)10-5-14-15-6-8(12)4-13-11(10)15/h2,4-7,9H,1,3H2.
What are the key properties of 3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine?
3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine has a molecular weight of 203.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenylcyclopropyl)-6-fluoropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 145003451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).