5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C8H10F3N3 — CID 57362245

IUPAC5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCN1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C8H10F3N3/c1-14-3-2-6-5(4-14)7(13-12-6)8(9,10)11/h2-4H2,1H3,(H,12,13)
InChIKeyCDEWLUHSOPWERA-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.42
Rot. Bonds

About 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 57362245) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID57362245
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCN1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C8H10F3N3/c1-14-3-2-6-5(4-14)7(13-12-6)8(9,10)11/h2-4H2,1H3,(H,12,13)
InChIKeyCDEWLUHSOPWERA-UHFFFAOYSA-N
XLogP1.42
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2802863
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 19616647
tert-butyl 3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 56773879
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine hydrochloride
CID 66970081
3-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine
CID 71307611
N-tert-butyl-3-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 72042931
2,2-difluoro-2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethan-1-amine
CID 119031270
3-(difluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride
CID 165657638
3-Cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 29893263
(2E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine
CID 50978581
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 50979543

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 57362245) is 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CN1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is CDEWLUHSOPWERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-14-3-2-6-5(4-14)7(13-12-6)8(9,10)11/h2-4H2,1H3,(H,12,13).
What are the key properties of 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 205.18 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 57362245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).