2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid

C15H18N2O2 — CID 82132502

IUPAC2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1cccc(C)c1-n1nc(C)c(CC(=O)O)c1C
InChIInChI=1S/C15H18N2O2/c1-9-6-5-7-10(2)15(9)17-12(4)13(8-14(18)19)11(3)16-17/h5-7H,8H2,1-4H3,(H,18,19)
InChIKeyAUWQPRQRRLGWJA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.73
Rot. Bonds3

About 2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid

2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 82132502) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID82132502
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1cccc(C)c1-n1nc(C)c(CC(=O)O)c1C
InChIInChI=1S/C15H18N2O2/c1-9-6-5-7-10(2)15(9)17-12(4)13(8-14(18)19)11(3)16-17/h5-7H,8H2,1-4H3,(H,18,19)
InChIKeyAUWQPRQRRLGWJA-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-cyano-6-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 107111691
2-[1-(3-chloro-2-cyanophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 62496041
2-[1-(3-bromo-2-cyanophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 114887643
3-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 82093389
2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid
CID 55113103
2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid
CID 63586232
2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid
CID 114789669
2-[1-(4-cyano-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 81276261
2-[1-(5-bromopyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 63871923
2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 79149652
2-[1-[4-(hydroxycarbamoylamino)phenyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 175229448
2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 116817945

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid (CID 82132502) is 2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid is Cc1cccc(C)c1-n1nc(C)c(CC(=O)O)c1C.
What is the InChIKey of 2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is AUWQPRQRRLGWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-6-5-7-10(2)15(9)17-12(4)13(8-14(18)19)11(3)16-17/h5-7H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 82132502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).