(5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C9H13F2N3 — CID 135816800

IUPAC(5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)[C@H](C(F)F)C[C@@H](C)N2
InChIInChI=1S/C9H13F2N3/c1-5-3-7(9(10)11)14-8(12-5)4-6(2)13-14/h4-5,7,9,12H,3H2,1-2H3/t5-,7+/m1/s1
InChIKeyGVCUYVSDJYMDMA-VDTYLAMSSA-N
MW201.22 g/mol
LogP2.20
Rot. Bonds1

About (5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

(5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 135816800) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is (5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID135816800
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name(5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)[C@H](C(F)F)C[C@@H](C)N2
InChIInChI=1S/C9H13F2N3/c1-5-3-7(9(10)11)14-8(12-5)4-6(2)13-14/h4-5,7,9,12H,3H2,1-2H3/t5-,7+/m1/s1
InChIKeyGVCUYVSDJYMDMA-VDTYLAMSSA-N
XLogP2.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of (5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 135816800) is (5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for (5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1cc2n(n1)[C@H](C(F)F)C[C@@H](C)N2.
What is the InChIKey of (5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is GVCUYVSDJYMDMA-VDTYLAMSSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-5-3-7(9(10)11)14-8(12-5)4-6(2)13-14/h4-5,7,9,12H,3H2,1-2H3/t5-,7+/m1/s1.
What are the key properties of (5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
(5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 201.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135816800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).