2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid

C14H17N3O2 — CID 79218684

IUPAC2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid
SMILESCCc1nn(-c2ccncc2)c(CC)c1CC(=O)O
InChIInChI=1S/C14H17N3O2/c1-3-12-11(9-14(18)19)13(4-2)17(16-12)10-5-7-15-8-6-10/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyBKFQUVUIAWLBRA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.02
Rot. Bonds5

About 2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid

2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid (PubChem CID 79218684) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid
PubChem CID79218684
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid
SMILESCCc1nn(-c2ccncc2)c(CC)c1CC(=O)O
InChIInChI=1S/C14H17N3O2/c1-3-12-11(9-14(18)19)13(4-2)17(16-12)10-5-7-15-8-6-10/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyBKFQUVUIAWLBRA-UHFFFAOYSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid (CID 79218684) is 2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid is CCc1nn(-c2ccncc2)c(CC)c1CC(=O)O.
What is the InChIKey of 2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid?
The InChIKey is BKFQUVUIAWLBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-12-11(9-14(18)19)13(4-2)17(16-12)10-5-7-15-8-6-10/h5-8H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid?
2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid has a molecular weight of 259.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 79218684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).