N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H16N4O3 — CID 163318033

IUPACN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCC(O)c1cccc(=O)[nH]1)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H16N4O3/c19-11(10-5-2-6-12(20)16-10)7-15-14(21)13-8-3-1-4-9(8)17-18-13/h2,5-6,11,19H,1,3-4,7H2,(H,15,21)(H,16,20)(H,17,18)
InChIKeyIVWBNUZHDOMXPP-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.05
Rot. Bonds4

About N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 163318033) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID163318033
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCC(O)c1cccc(=O)[nH]1)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H16N4O3/c19-11(10-5-2-6-12(20)16-10)7-15-14(21)13-8-3-1-4-9(8)17-18-13/h2,5-6,11,19H,1,3-4,7H2,(H,15,21)(H,16,20)(H,17,18)
InChIKeyIVWBNUZHDOMXPP-UHFFFAOYSA-N
XLogP0.05
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 163318033) is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(NCC(O)c1cccc(=O)[nH]1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is IVWBNUZHDOMXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-11(10-5-2-6-12(20)16-10)7-15-14(21)13-8-3-1-4-9(8)17-18-13/h2,5-6,11,19H,1,3-4,7H2,(H,15,21)(H,16,20)(H,17,18).
What are the key properties of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.05, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 163318033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).