2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C8H10F3N3 — CID 83848209

IUPAC2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCn1nc2c(c1C(F)(F)F)CNCC2
InChIInChI=1S/C8H10F3N3/c1-14-7(8(9,10)11)5-4-12-3-2-6(5)13-14/h12H,2-4H2,1H3
InChIKeyXQZGQEXJRPYEEQ-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.08
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 83848209) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID83848209
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCn1nc2c(c1C(F)(F)F)CNCC2
InChIInChI=1S/C8H10F3N3/c1-14-7(8(9,10)11)5-4-12-3-2-6(5)13-14/h12H,2-4H2,1H3
InChIKeyXQZGQEXJRPYEEQ-UHFFFAOYSA-N
XLogP1.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]propan-1-amine
CID 19614695
US11028083, Example 21
CID 139456561
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
1-methyl-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine
CID 50873898
2,3-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine
CID 82417238
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanenitrile
CID 19576796
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)methanamine
CID 71757240
1,3-dimethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine dihydrochloride
CID 137951586
7,8,11-Triazatricyclo(6.4.0.0,2,6)dodeca-1,6-diene hydrochloride
CID 155858842
3-(difluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride
CID 165657638
1-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine hydrochloride
CID 165946402

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 83848209) is 2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Cn1nc2c(c1C(F)(F)F)CNCC2.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is XQZGQEXJRPYEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-14-7(8(9,10)11)5-4-12-3-2-6(5)13-14/h12H,2-4H2,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 205.18 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 83848209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).