5-(dimethylamino)-1H-pyrazole-4-carboxylic acid

C6H9N3O2 — CID 83618745

IUPAC5-(dimethylamino)-1H-pyrazole-4-carboxylic acid
SMILESCN(C)c1[nH]ncc1C(=O)O
InChIInChI=1S/C6H9N3O2/c1-9(2)5-4(6(10)11)3-7-8-5/h3H,1-2H3,(H,7,8)(H,10,11)
InChIKeyKKHAIZDLCLXFDW-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.17
Rot. Bonds2

About 5-(dimethylamino)-1H-pyrazole-4-carboxylic acid

5-(dimethylamino)-1H-pyrazole-4-carboxylic acid (PubChem CID 83618745) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-(dimethylamino)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylamino)-1H-pyrazole-4-carboxylic acid
PubChem CID83618745
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-(dimethylamino)-1H-pyrazole-4-carboxylic acid
SMILESCN(C)c1[nH]ncc1C(=O)O
InChIInChI=1S/C6H9N3O2/c1-9(2)5-4(6(10)11)3-7-8-5/h3H,1-2H3,(H,7,8)(H,10,11)
InChIKeyKKHAIZDLCLXFDW-UHFFFAOYSA-N
XLogP0.17
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(dimethylamino)-1H-pyrazole-4-carboxylic acid (CID 83618745) is 5-(dimethylamino)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(dimethylamino)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(dimethylamino)-1H-pyrazole-4-carboxylic acid is CN(C)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(dimethylamino)-1H-pyrazole-4-carboxylic acid?
The InChIKey is KKHAIZDLCLXFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-9(2)5-4(6(10)11)3-7-8-5/h3H,1-2H3,(H,7,8)(H,10,11).
What are the key properties of 5-(dimethylamino)-1H-pyrazole-4-carboxylic acid?
5-(dimethylamino)-1H-pyrazole-4-carboxylic acid has a molecular weight of 155.16 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 83618745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).