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

C10H14F3N3 — CID 118491713

IUPAC3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2c1CCN(CCC(F)(F)F)C2
InChIInChI=1S/C10H14F3N3/c1-7-8-2-4-16(5-3-10(11,12)13)6-9(8)15-14-7/h2-6H2,1H3,(H,14,15)
InChIKeyWPCFSYRFBUDWDO-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.03
Rot. Bonds2

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

3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 118491713) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID118491713
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2c1CCN(CCC(F)(F)F)C2
InChIInChI=1S/C10H14F3N3/c1-7-8-2-4-16(5-3-10(11,12)13)6-9(8)15-14-7/h2-6H2,1H3,(H,14,15)
InChIKeyWPCFSYRFBUDWDO-UHFFFAOYSA-N
XLogP2.03
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
3-(difluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride
CID 165657638
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine
CID 126776910
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 25324037
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine
CID 45096965
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 45480287
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
CID 50988603
tert-Butyl 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate
CID 50992799
6-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-C]pyridine
CID 50992800
5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 57362245
5-Acetyl-4,5,6,7-tetrahydro-3-(trifluoromethyl)pyrazolo-[4,3-C]-pyridine
CID 57373291

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine (CID 118491713) is 3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine is Cc1[nH]nc2c1CCN(CCC(F)(F)F)C2.
What is the InChIKey of 3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is WPCFSYRFBUDWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-7-8-2-4-16(5-3-10(11,12)13)6-9(8)15-14-7/h2-6H2,1H3,(H,14,15).
What are the key properties of 3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine?
3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 233.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 118491713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).