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

C8H11F2N3 — CID 136837472

IUPAC7-(difluoromethyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c1NCCC2C(F)F
InChIInChI=1S/C8H11F2N3/c1-5-4-12-13-6(7(9)10)2-3-11-8(5)13/h4,6-7,11H,2-3H2,1H3
InChIKeyHYSSBEIJGUCKEO-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.81
Rot. Bonds1

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

7-(difluoromethyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136837472) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 7-(difluoromethyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136837472
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name7-(difluoromethyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c1NCCC2C(F)F
InChIInChI=1S/C8H11F2N3/c1-5-4-12-13-6(7(9)10)2-3-11-8(5)13/h4,6-7,11H,2-3H2,1H3
InChIKeyHYSSBEIJGUCKEO-UHFFFAOYSA-N
XLogP1.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.81
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
3,5-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837497
3-iodo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 137131950
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-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136837472) is 7-(difluoromethyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1cnn2c1NCCC2C(F)F.
What is the InChIKey of 7-(difluoromethyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is HYSSBEIJGUCKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-5-4-12-13-6(7(9)10)2-3-11-8(5)13/h4,6-7,11H,2-3H2,1H3.
What are the key properties of 7-(difluoromethyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 187.19 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).