1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

C16H21N3O — CID 105112460

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1CC(O)C1CCc2cccnc21
InChIInChI=1S/C16H21N3O/c1-10-14(11(2)19(3)18-10)9-15(20)13-7-6-12-5-4-8-17-16(12)13/h4-5,8,13,15,20H,6-7,9H2,1-3H3
InChIKeyMHBAQXWUOWEHAW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.07
Rot. Bonds3

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 105112460) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID105112460
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1CC(O)C1CCc2cccnc21
InChIInChI=1S/C16H21N3O/c1-10-14(11(2)19(3)18-10)9-15(20)13-7-6-12-5-4-8-17-16(12)13/h4-5,8,13,15,20H,6-7,9H2,1-3H3
InChIKeyMHBAQXWUOWEHAW-UHFFFAOYSA-N
XLogP2.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 105112460) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(C)c1CC(O)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is MHBAQXWUOWEHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-14(11(2)19(3)18-10)9-15(20)13-7-6-12-5-4-8-17-16(12)13/h4-5,8,13,15,20H,6-7,9H2,1-3H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 105112460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).