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

C9H13F2N3 — CID 136841167

IUPAC7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2C(F)F
InChIInChI=1S/C9H13F2N3/c1-2-6-5-13-14-7(8(10)11)3-4-12-9(6)14/h5,7-8,12H,2-4H2,1H3
InChIKeyACCNSRSGQCWPPS-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.07
Rot. Bonds2

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

7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841167) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841167
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2C(F)F
InChIInChI=1S/C9H13F2N3/c1-2-6-5-13-14-7(8(10)11)3-4-12-9(6)14/h5,7-8,12H,2-4H2,1H3
InChIKeyACCNSRSGQCWPPS-UHFFFAOYSA-N
XLogP2.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841167) is 7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cnn2c1NCCC2C(F)F.
What is the InChIKey of 7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is ACCNSRSGQCWPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-2-6-5-13-14-7(8(10)11)3-4-12-9(6)14/h5,7-8,12H,2-4H2,1H3.
What are the key properties of 7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 201.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).