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

C9H13F2N3 — CID 165475483

IUPAC7-(difluoromethyl)-3,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c1NC(C)CC2C(F)F
InChIInChI=1S/C9H13F2N3/c1-5-4-12-14-7(8(10)11)3-6(2)13-9(5)14/h4,6-8,13H,3H2,1-2H3
InChIKeyZRJFNYWLGMRZPZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.20
Rot. Bonds1

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

7-(difluoromethyl)-3,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 165475483) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 7-(difluoromethyl)-3,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-3,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID165475483
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name7-(difluoromethyl)-3,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c1NC(C)CC2C(F)F
InChIInChI=1S/C9H13F2N3/c1-5-4-12-14-7(8(10)11)3-6(2)13-9(5)14/h4,6-8,13H,3H2,1-2H3
InChIKeyZRJFNYWLGMRZPZ-UHFFFAOYSA-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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Related Compounds

7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 135624510
1-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-b)pyridine
CID 135966088
3,5-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837497
3-bromo-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136329515
5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 137199621
1-Tert-butyl-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-4,7-dihydropyrazolo[5,4-d]pyrimidine
CID 136141173
5-Methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4767335
7-(Difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4773137
5-Cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4773363
5,7-Bis(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-A]pyrimidin-3-YL cyanide
CID 4773457
N,1-dipentyl-4-(trifluoromethyl)pyrazol-5-amine
CID 70408080
4-methyl-2-N-[4-methyl-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 131984439

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-3,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-3,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 165475483) is 7-(difluoromethyl)-3,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-3,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-3,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1cnn2c1NC(C)CC2C(F)F.
What is the InChIKey of 7-(difluoromethyl)-3,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is ZRJFNYWLGMRZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-5-4-12-14-7(8(10)11)3-6(2)13-9(5)14/h4,6-8,13H,3H2,1-2H3.
What are the key properties of 7-(difluoromethyl)-3,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-3,5-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 7-(difluoromethyl)-3,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 165475483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).