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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Related Compounds

1-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)-N-methylmethanamine
CID 107431079
2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79220424
4-(3,5-diethyl-4-methylpyrazol-1-yl)pyridine
CID 129214084
2-[1-(4-bromo-2-methylphenyl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 104508500
2-[1-(2,4-difluorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79220410
methyl 2-[1-(4-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetate
CID 79220409
2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79826609
4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine
CID 43543145
2-[1-[(4-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 79219433
potassium 5-(carboxymethyl)-6-ethyl-1-(4-iodophenyl)-4-oxopyridazine-3-carboxylate
CID 70401125
2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid
CID 10614604
2-[1-(2-cyanoethyl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79219937

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).