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

C14H23F2N3 — CID 136837364

IUPAC7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(Cc1cc2n(n1)C(C(F)F)CCN2)C(C)(C)C
InChIInChI=1S/C14H23F2N3/c1-9(14(2,3)4)7-10-8-12-17-6-5-11(13(15)16)19(12)18-10/h8-9,11,13,17H,5-7H2,1-4H3
InChIKeyAZIMONQNFUWENI-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.73
Rot. Bonds3

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

7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136837364) has the molecular formula C14H23F2N3 and a molecular weight of 271.35 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136837364
Molecular FormulaC14H23F2N3
Molecular Weight271.35 g/mol
Exact Mass271.19
IUPAC Name7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(Cc1cc2n(n1)C(C(F)F)CCN2)C(C)(C)C
InChIInChI=1S/C14H23F2N3/c1-9(14(2,3)4)7-10-8-12-17-6-5-11(13(15)16)19(12)18-10/h8-9,11,13,17H,5-7H2,1-4H3
InChIKeyAZIMONQNFUWENI-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,7R)-5-methyl-2-(1-methylsulfonylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136761292
(5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136761293
N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide
CID 136761296
1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]butan-1-one
CID 136761299
2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 136761302
5-Cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135645608
1-methyl-3-(piperidin-4-yl)-1H-pyrazol-5-amine
CID 83409076
5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646589
5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646590
5-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646591
7-(difluoromethyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4773372
5-(1,3-Dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 171314919

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136837364) is 7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(Cc1cc2n(n1)C(C(F)F)CCN2)C(C)(C)C.
What is the InChIKey of 7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is AZIMONQNFUWENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3/c1-9(14(2,3)4)7-10-8-12-17-6-5-11(13(15)16)19(12)18-10/h8-9,11,13,17H,5-7H2,1-4H3.
What are the key properties of 7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 271.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).