7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C12H19F2N3 — CID 137012005

IUPAC7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)CCc1cc2n(n1)C(C(F)F)CCN2
InChIInChI=1S/C12H19F2N3/c1-8(2)3-4-9-7-11-15-6-5-10(12(13)14)17(11)16-9/h7-8,10,12,15H,3-6H2,1-2H3
InChIKeyFEQPLWSILVWDHL-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.09
Rot. Bonds4

About 7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 137012005) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID137012005
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)CCc1cc2n(n1)C(C(F)F)CCN2
InChIInChI=1S/C12H19F2N3/c1-8(2)3-4-9-7-11-15-6-5-10(12(13)14)17(11)16-9/h7-8,10,12,15H,3-6H2,1-2H3
InChIKeyFEQPLWSILVWDHL-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 137012005) is 7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)CCc1cc2n(n1)C(C(F)F)CCN2.
What is the InChIKey of 7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is FEQPLWSILVWDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-8(2)3-4-9-7-11-15-6-5-10(12(13)14)17(11)16-9/h7-8,10,12,15H,3-6H2,1-2H3.
What are the key properties of 7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 243.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 137012005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).