3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol

C12H18F3N3O — CID 123800161

IUPAC3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol
SMILESCC(C)c1n[nH]c2c1CN(C(O)CC(F)(F)F)CC2
InChIInChI=1S/C12H18F3N3O/c1-7(2)11-8-6-18(4-3-9(8)16-17-11)10(19)5-12(13,14)15/h7,10,19H,3-6H2,1-2H3,(H,16,17)
InChIKeyAHZDGAUNXPNLNF-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.16
Rot. Bonds3

About 3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol

3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol (PubChem CID 123800161) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol
PubChem CID123800161
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol
SMILESCC(C)c1n[nH]c2c1CN(C(O)CC(F)(F)F)CC2
InChIInChI=1S/C12H18F3N3O/c1-7(2)11-8-6-18(4-3-9(8)16-17-11)10(19)5-12(13,14)15/h7,10,19H,3-6H2,1-2H3,(H,16,17)
InChIKeyAHZDGAUNXPNLNF-UHFFFAOYSA-N
XLogP2.16
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 99932735
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
3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 58617572
3-(Trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 66874475
5-Ethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 68029788
3-(1-Fluoroethyl)-6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 68383779
3-(1,1,2,2,2-Pentafluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 87870521
3-(Trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde
CID 89231258
5-Propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 90162224
2-Methyl-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 117684397
3,3,3-Trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 118489259

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol (CID 123800161) is 3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol is CC(C)c1n[nH]c2c1CN(C(O)CC(F)(F)F)CC2.
What is the InChIKey of 3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol?
The InChIKey is AHZDGAUNXPNLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-7(2)11-8-6-18(4-3-9(8)16-17-11)10(19)5-12(13,14)15/h7,10,19H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol?
3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol has a molecular weight of 277.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol is sourced from PubChem (CID 123800161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).