5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C11H14F3N3 — CID 135645608

IUPAC5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)C(C(F)(F)F)CC(C1CC1)N2
InChIInChI=1S/C11H14F3N3/c1-6-4-10-15-8(7-2-3-7)5-9(11(12,13)14)17(10)16-6/h4,7-9,15H,2-3,5H2,1H3
InChIKeyPQMGALGWECRSJB-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.89
Rot. Bonds1

About 5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 135645608) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID135645608
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)C(C(F)(F)F)CC(C1CC1)N2
InChIInChI=1S/C11H14F3N3/c1-6-4-10-15-8(7-2-3-7)5-9(11(12,13)14)17(10)16-6/h4,7-9,15H,2-3,5H2,1H3
InChIKeyPQMGALGWECRSJB-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 135600434
2-methyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 136108556
2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136300223
2-(Trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136621556
1-cyclopropyl-N-[(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-amine
CID 136196801
2-methyl-1-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propan-1-one
CID 136760534
cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 136760535
2-methyl-6-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 135833150
5-Cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4767315
2,5-Dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646596
N-isopropyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 71633044
2-cyclopentyl-N-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 138654787

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 135645608) is 5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1cc2n(n1)C(C(F)(F)F)CC(C1CC1)N2.
What is the InChIKey of 5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is PQMGALGWECRSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-6-4-10-15-8(7-2-3-7)5-9(11(12,13)14)17(10)16-6/h4,7-9,15H,2-3,5H2,1H3.
What are the key properties of 5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 245.25 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135645608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).