1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid

C10H12N4O2 — CID 28952205

IUPAC1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(-n2ccnc2C)c1C(=O)O
InChIInChI=1S/C10H12N4O2/c1-6-8(10(15)16)9(13(3)12-6)14-5-4-11-7(14)2/h4-5H,1-3H3,(H,15,16)
InChIKeyPJOMMKOUAXCSIH-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.92
Rot. Bonds2

About 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid

1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid (PubChem CID 28952205) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid
PubChem CID28952205
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(-n2ccnc2C)c1C(=O)O
InChIInChI=1S/C10H12N4O2/c1-6-8(10(15)16)9(13(3)12-6)14-5-4-11-7(14)2/h4-5H,1-3H3,(H,15,16)
InChIKeyPJOMMKOUAXCSIH-UHFFFAOYSA-N
XLogP0.92
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid (CID 28952205) is 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid is Cc1nn(C)c(-n2ccnc2C)c1C(=O)O.
What is the InChIKey of 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid?
The InChIKey is PJOMMKOUAXCSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-8(10(15)16)9(13(3)12-6)14-5-4-11-7(14)2/h4-5H,1-3H3,(H,15,16).
What are the key properties of 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid?
1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 28952205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).