2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane

C15H20N2O2 — CID 144722920

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane
SMILESCC.Cc1cc(C)n(-c2cccc(CC(=O)O)c2)n1
InChIInChI=1S/C13H14N2O2.C2H6/c1-9-6-10(2)15(14-9)12-5-3-4-11(7-12)8-13(16)17;1-2/h3-7H,8H2,1-2H3,(H,16,17);1-2H3
InChIKeyVFRWEGNUZMESJT-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.14
Rot. Bonds3

About 2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane

2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane (PubChem CID 144722920) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane
PubChem CID144722920
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane
SMILESCC.Cc1cc(C)n(-c2cccc(CC(=O)O)c2)n1
InChIInChI=1S/C13H14N2O2.C2H6/c1-9-6-10(2)15(14-9)12-5-3-4-11(7-12)8-13(16)17;1-2/h3-7H,8H2,1-2H3,(H,16,17);1-2H3
InChIKeyVFRWEGNUZMESJT-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanoic acid
CID 82478484
2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]acetic acid
CID 82513022
2-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]acetic acid
CID 82514135
4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3,4-dihydroxybutanoic acid
CID 171878650
(2S)-2-[[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylcarbamoyl]amino]propanoic acid
CID 126446033
ethyl 3-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50883494
CID 58656859
CID 58656859
2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419701
benzyl N-[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]prop-2-enyl]carbamate
CID 169472561
methyl 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-oxopropanoate
CID 156788382
6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 134703926
benzyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 799986

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane (CID 144722920) is 2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane is CC.Cc1cc(C)n(-c2cccc(CC(=O)O)c2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane?
The InChIKey is VFRWEGNUZMESJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.C2H6/c1-9-6-10(2)15(14-9)12-5-3-4-11(7-12)8-13(16)17;1-2/h3-7H,8H2,1-2H3,(H,16,17);1-2H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane?
2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane has a molecular weight of 260.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane is sourced from PubChem (CID 144722920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).