2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid

C16H20N2O2 — CID 105345519

IUPAC2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid
SMILESCCc1cc(CC)n(Cc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C16H20N2O2/c1-3-14-10-15(4-2)18(17-14)11-13-7-5-12(6-8-13)9-16(19)20/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20)
InChIKeyARUKUTFPNRIWEF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.68
Rot. Bonds6

About 2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid

2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid (PubChem CID 105345519) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid
PubChem CID105345519
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid
SMILESCCc1cc(CC)n(Cc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C16H20N2O2/c1-3-14-10-15(4-2)18(17-14)11-13-7-5-12(6-8-13)9-16(19)20/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20)
InChIKeyARUKUTFPNRIWEF-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-diethylpyrazol-1-yl)methyl]aniline
CID 82692087
4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 82700520
4-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]but-3-yn-1-ol
CID 82698856
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
[3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 82691975
(E)-4-(3,5-diethylpyrazol-1-yl)-3-methylbut-2-enoic acid
CID 82692446
[4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine
CID 114479159
1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole
CID 82695018
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
1-[(4-bromo-3-nitrophenyl)methyl]-3,5-diethylpyrazole
CID 82693026
3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
CID 82693106
2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid
CID 83635686

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid (CID 105345519) is 2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid is CCc1cc(CC)n(Cc2ccc(CC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid?
The InChIKey is ARUKUTFPNRIWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-14-10-15(4-2)18(17-14)11-13-7-5-12(6-8-13)9-16(19)20/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid?
2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid has a molecular weight of 272.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid is sourced from PubChem (CID 105345519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).