5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C10H14F3N3 — CID 90162224

IUPAC5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C10H14F3N3/c1-6(2)16-4-3-8-7(5-16)9(15-14-8)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyFJQWTOHHKXJEFS-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.19
Rot. Bonds1

About 5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 90162224) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID90162224
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C10H14F3N3/c1-6(2)16-4-3-8-7(5-16)9(15-14-8)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyFJQWTOHHKXJEFS-UHFFFAOYSA-N
XLogP2.19
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 50979543
(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 95225503
5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 99932735
N-[(4S)-2-methyl-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pentan-2-yl]acetamide
CID 129610433
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 25324037

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 90162224) is 5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CC(C)N1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of 5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is FJQWTOHHKXJEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-6(2)16-4-3-8-7(5-16)9(15-14-8)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 233.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 90162224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).