1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol

C11H16F3N3O — CID 123214791

IUPAC1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol
SMILESCCc1n[nH]c2c1CCN(C(O)CC(F)(F)F)C2
InChIInChI=1S/C11H16F3N3O/c1-2-8-7-3-4-17(6-9(7)16-15-8)10(18)5-11(12,13)14/h10,18H,2-6H2,1H3,(H,15,16)
InChIKeyCRZYNJIBTSPNRY-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.60
Rot. Bonds3

About 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol

1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol (PubChem CID 123214791) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol
PubChem CID123214791
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol
SMILESCCc1n[nH]c2c1CCN(C(O)CC(F)(F)F)C2
InChIInChI=1S/C11H16F3N3O/c1-2-8-7-3-4-17(6-9(7)16-15-8)10(18)5-11(12,13)14/h10,18H,2-6H2,1H3,(H,15,16)
InChIKeyCRZYNJIBTSPNRY-UHFFFAOYSA-N
XLogP1.60
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-tert-butyl-3-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 72042931
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 25324037
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
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
6-Propan-2-yl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 68211073
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
1-[3-(Trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 89583878

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol (CID 123214791) is 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol is CCc1n[nH]c2c1CCN(C(O)CC(F)(F)F)C2.
What is the InChIKey of 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is CRZYNJIBTSPNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-8-7-3-4-17(6-9(7)16-15-8)10(18)5-11(12,13)14/h10,18H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol?
1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 263.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 123214791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).