2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid

C14H23N3O3 — CID 142749357

IUPAC2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid
SMILESCCCCC(CCN1CCc2[nH][nH]c(=O)c2C1)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-2-3-4-10(14(19)20)5-7-17-8-6-12-11(9-17)13(18)16-15-12/h10H,2-9H2,1H3,(H,19,20)(H2,15,16,18)
InChIKeyBZPYTGCTFHWMMS-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.34
Rot. Bonds7

About 2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid

2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid (PubChem CID 142749357) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid.

Molecular Properties

Compound Name2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid
PubChem CID142749357
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid
SMILESCCCCC(CCN1CCc2[nH][nH]c(=O)c2C1)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-2-3-4-10(14(19)20)5-7-17-8-6-12-11(9-17)13(18)16-15-12/h10H,2-9H2,1H3,(H,19,20)(H2,15,16,18)
InChIKeyBZPYTGCTFHWMMS-UHFFFAOYSA-N
XLogP1.34
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid?
The IUPAC name of 2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid (CID 142749357) is 2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid.
What is the SMILES notation for 2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid?
The canonical SMILES for 2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid is CCCCC(CCN1CCc2[nH][nH]c(=O)c2C1)C(=O)O.
What is the InChIKey of 2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid?
The InChIKey is BZPYTGCTFHWMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-3-4-10(14(19)20)5-7-17-8-6-12-11(9-17)13(18)16-15-12/h10H,2-9H2,1H3,(H,19,20)(H2,15,16,18).
What are the key properties of 2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid?
2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]hexanoic acid is sourced from PubChem (CID 142749357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).