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

C10H14F3N3 — CID 82587027

IUPAC1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCNC2
InChIInChI=1S/C10H14F3N3/c1-6(2)16-8-3-4-14-5-7(8)9(15-16)10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyAYRDAFUGDZFUML-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.13
Rot. Bonds1

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

1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82587027) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82587027
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCNC2
InChIInChI=1S/C10H14F3N3/c1-6(2)16-8-3-4-14-5-7(8)9(15-16)10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyAYRDAFUGDZFUML-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.13
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
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
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
1,3,5-trimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 54592636
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
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
N-[3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propyl]cyclohexanamine
CID 62566633
(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)methanamine
CID 83383904

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82587027) is 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is CC(C)n1nc(C(F)(F)F)c2c1CCNC2.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is AYRDAFUGDZFUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-6(2)16-8-3-4-14-5-7(8)9(15-16)10(11,12)13/h6,14H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 233.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82587027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).