2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid

C15H14N4O2 — CID 63586232

IUPAC2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid
SMILESCc1nn(-c2cnnc3ccccc23)c(C)c1CC(=O)O
InChIInChI=1S/C15H14N4O2/c1-9-12(7-15(20)21)10(2)19(18-9)14-8-16-17-13-6-4-3-5-11(13)14/h3-6,8H,7H2,1-2H3,(H,20,21)
InChIKeyKMMXNBYTYNHCES-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.06
Rot. Bonds3

About 2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid

2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid (PubChem CID 63586232) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid
PubChem CID63586232
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid
SMILESCc1nn(-c2cnnc3ccccc23)c(C)c1CC(=O)O
InChIInChI=1S/C15H14N4O2/c1-9-12(7-15(20)21)10(2)19(18-9)14-8-16-17-13-6-4-3-5-11(13)14/h3-6,8H,7H2,1-2H3,(H,20,21)
InChIKeyKMMXNBYTYNHCES-UHFFFAOYSA-N
XLogP2.06
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 82132502
2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid
CID 114789669
4-(3,5-dimethylpyrazol-1-yl)cinnoline
CID 63810532
3-[1-(2-ethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 82093393
2-[1-(3-bromo-2-cyanophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 114887643
2-[1-(3-chloro-2-cyanophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 62496041
2-[1-(5-bromopyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 63871923
2-(1-cinnolin-4-ylazetidin-3-yl)acetic acid
CID 64618649
2-[1-(2-cyano-6-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 107111691
2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid
CID 55113103
2-(1-cinnolin-4-yl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657862
2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid
CID 65208615

Frequently Asked Questions

What is the IUPAC name of 2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid (CID 63586232) is 2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid is Cc1nn(-c2cnnc3ccccc23)c(C)c1CC(=O)O.
What is the InChIKey of 2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid?
The InChIKey is KMMXNBYTYNHCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-12(7-15(20)21)10(2)19(18-9)14-8-16-17-13-6-4-3-5-11(13)14/h3-6,8H,7H2,1-2H3,(H,20,21).
What are the key properties of 2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid?
2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid has a molecular weight of 282.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 63586232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).