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

C5H8N2O2 — CID 141166052

IUPAC2-methyl-3,4-dihydropyrazole-5-carboxylic acid
SMILESCN1CCC(C(=O)O)=N1
InChIInChI=1S/C5H8N2O2/c1-7-3-2-4(6-7)5(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyAJWKQTOHVYYYHW-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.24
Rot. Bonds1

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

2-methyl-3,4-dihydropyrazole-5-carboxylic acid (PubChem CID 141166052) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-methyl-3,4-dihydropyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3,4-dihydropyrazole-5-carboxylic acid
PubChem CID141166052
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name2-methyl-3,4-dihydropyrazole-5-carboxylic acid
SMILESCN1CCC(C(=O)O)=N1
InChIInChI=1S/C5H8N2O2/c1-7-3-2-4(6-7)5(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyAJWKQTOHVYYYHW-UHFFFAOYSA-N
XLogP-0.24
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydropyrazole-5-carboxylic acid?
The IUPAC name of 2-methyl-3,4-dihydropyrazole-5-carboxylic acid (CID 141166052) is 2-methyl-3,4-dihydropyrazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3,4-dihydropyrazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-3,4-dihydropyrazole-5-carboxylic acid is CN1CCC(C(=O)O)=N1.
What is the InChIKey of 2-methyl-3,4-dihydropyrazole-5-carboxylic acid?
The InChIKey is AJWKQTOHVYYYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-7-3-2-4(6-7)5(8)9/h2-3H2,1H3,(H,8,9).
What are the key properties of 2-methyl-3,4-dihydropyrazole-5-carboxylic acid?
2-methyl-3,4-dihydropyrazole-5-carboxylic acid has a molecular weight of 128.13 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydropyrazole-5-carboxylic acid is sourced from PubChem (CID 141166052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).