7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H17F2N3 — CID 136838792

IUPAC7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC1CC1c1cc2n(n1)C(c1c(F)cccc1F)CCN2
InChIInChI=1S/C16H17F2N3/c1-9-7-10(9)13-8-15-19-6-5-14(21(15)20-13)16-11(17)3-2-4-12(16)18/h2-4,8-10,14,19H,5-7H2,1H3
InChIKeyJJONSCLKGTZJBV-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.69
Rot. Bonds2

About 7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838792) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838792
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC1CC1c1cc2n(n1)C(c1c(F)cccc1F)CCN2
InChIInChI=1S/C16H17F2N3/c1-9-7-10(9)13-8-15-19-6-5-14(21(15)20-13)16-11(17)3-2-4-12(16)18/h2-4,8-10,14,19H,5-7H2,1H3
InChIKeyJJONSCLKGTZJBV-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838792) is 7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC1CC1c1cc2n(n1)C(c1c(F)cccc1F)CCN2.
What is the InChIKey of 7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is JJONSCLKGTZJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c1-9-7-10(9)13-8-15-19-6-5-14(21(15)20-13)16-11(17)3-2-4-12(16)18/h2-4,8-10,14,19H,5-7H2,1H3.
What are the key properties of 7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 289.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-difluorophenyl)-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).