2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid

C6H10N2O2 — CID 67515446

IUPAC2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid
SMILESCC1=NN(C)CC1C(=O)O
InChIInChI=1S/C6H10N2O2/c1-4-5(6(9)10)3-8(2)7-4/h5H,3H2,1-2H3,(H,9,10)
InChIKeyLVVIFDOTRHUQPL-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.01
Rot. Bonds1

About 2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid

2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid (PubChem CID 67515446) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid
PubChem CID67515446
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid
SMILESCC1=NN(C)CC1C(=O)O
InChIInChI=1S/C6H10N2O2/c1-4-5(6(9)10)3-8(2)7-4/h5H,3H2,1-2H3,(H,9,10)
InChIKeyLVVIFDOTRHUQPL-UHFFFAOYSA-N
XLogP0.01
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid (CID 67515446) is 2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid is CC1=NN(C)CC1C(=O)O.
What is the InChIKey of 2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid?
The InChIKey is LVVIFDOTRHUQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-5(6(9)10)3-8(2)7-4/h5H,3H2,1-2H3,(H,9,10).
What are the key properties of 2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid?
2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid has a molecular weight of 142.16 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,4-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 67515446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).