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

C9H12F3N3 — CID 121214736

IUPAC1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCn1nc(C(F)(F)F)c2c1CCNC2
InChIInChI=1S/C9H12F3N3/c1-2-15-7-3-4-13-5-6(7)8(14-15)9(10,11)12/h13H,2-5H2,1H3
InChIKeyWMVDOKFDVBHQPA-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.57
Rot. Bonds1

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

1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 121214736) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID121214736
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCn1nc(C(F)(F)F)c2c1CCNC2
InChIInChI=1S/C9H12F3N3/c1-2-15-7-3-4-13-5-6(7)8(14-15)9(10,11)12/h13H,2-5H2,1H3
InChIKeyWMVDOKFDVBHQPA-UHFFFAOYSA-N
XLogP1.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.57
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 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 121214736) is 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCn1nc(C(F)(F)F)c2c1CCNC2.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is WMVDOKFDVBHQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-2-15-7-3-4-13-5-6(7)8(14-15)9(10,11)12/h13H,2-5H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 219.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 121214736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).