4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid

C14H12N4O2 — CID 64623928

IUPAC4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid
SMILESCc1cc(C)n(-c2c(C(=O)O)nnc3ccccc23)n1
InChIInChI=1S/C14H12N4O2/c1-8-7-9(2)18(17-8)13-10-5-3-4-6-11(10)15-16-12(13)14(19)20/h3-7H,1-2H3,(H,19,20)
InChIKeyWZGJEBUMKXWCQA-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.13
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid

4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid (PubChem CID 64623928) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid
PubChem CID64623928
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid
SMILESCc1cc(C)n(-c2c(C(=O)O)nnc3ccccc23)n1
InChIInChI=1S/C14H12N4O2/c1-8-7-9(2)18(17-8)13-10-5-3-4-6-11(10)15-16-12(13)14(19)20/h3-7H,1-2H3,(H,19,20)
InChIKeyWZGJEBUMKXWCQA-UHFFFAOYSA-N
XLogP2.13
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoline-4-carboxylic acid
CID 16643824
4-(2,2-dimethylpyrrolidin-1-yl)cinnoline-3-carboxylic acid
CID 64622919
4-(3,5-dimethylpyrazol-1-yl)cinnoline
CID 63810532
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid
CID 114650595
4-(2-methyl-1,4-oxazepan-4-yl)cinnoline-3-carboxylic acid
CID 64622507
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cinnoline-3-carboxylic acid
CID 64622923
2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid
CID 84695435
4-(N-methylanilino)cinnoline-3-carboxylic acid
CID 64622262
4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid
CID 64622897
4-[(2-methyl-3-pyridinyl)amino]cinnoline-3-carboxylic acid
CID 79042965
5-(3,5-dimethylpyrazol-1-yl)benzene-1,3-dicarboxylic acid
CID 976376

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid (CID 64623928) is 4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid is Cc1cc(C)n(-c2c(C(=O)O)nnc3ccccc23)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid?
The InChIKey is WZGJEBUMKXWCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-7-9(2)18(17-8)13-10-5-3-4-6-11(10)15-16-12(13)14(19)20/h3-7H,1-2H3,(H,19,20).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid?
4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)cinnoline-3-carboxylic acid is sourced from PubChem (CID 64623928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).