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

C6H10N2O2 — CID 159646981

IUPAC2-ethyl-3,4-dihydropyrazole-5-carboxylic acid
SMILESCCN1CCC(C(=O)O)=N1
InChIInChI=1S/C6H10N2O2/c1-2-8-4-3-5(7-8)6(9)10/h2-4H2,1H3,(H,9,10)
InChIKeyMRBRQGACGDUQSW-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.15
Rot. Bonds2

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

2-ethyl-3,4-dihydropyrazole-5-carboxylic acid (PubChem CID 159646981) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-ethyl-3,4-dihydropyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3,4-dihydropyrazole-5-carboxylic acid
PubChem CID159646981
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-ethyl-3,4-dihydropyrazole-5-carboxylic acid
SMILESCCN1CCC(C(=O)O)=N1
InChIInChI=1S/C6H10N2O2/c1-2-8-4-3-5(7-8)6(9)10/h2-4H2,1H3,(H,9,10)
InChIKeyMRBRQGACGDUQSW-UHFFFAOYSA-N
XLogP0.15
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Methyl-4,5-dihydro-pyrazol-1-yl)-propionic acid
CID 3150929
1-ethyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 18339325
2-Tert-butyl-3-methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 68243669
5-Methyl-3,3a,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 90959314
2-[Ethyl(methyl)hydrazinylidene]butanoic acid
CID 123584847
Methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate
CID 141166031
2-Methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 141166052
2-ethyl-4-oxo-3H-pyrazole-5-carboxylic acid
CID 151585861
5-oxo-1-propan-2-yl-4H-pyrazole-3-carboxylic acid
CID 61389176
5-oxo-1-propyl-4H-pyrazole-3-carboxylic acid
CID 61389177
1-butyl-5-oxo-4H-pyrazole-3-carboxylic acid
CID 61389190
4-(3-methyl-5-oxo-4H-pyrazol-1-yl)butanoic acid
CID 131870736

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dihydropyrazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-3,4-dihydropyrazole-5-carboxylic acid (CID 159646981) is 2-ethyl-3,4-dihydropyrazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-3,4-dihydropyrazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-3,4-dihydropyrazole-5-carboxylic acid is CCN1CCC(C(=O)O)=N1.
What is the InChIKey of 2-ethyl-3,4-dihydropyrazole-5-carboxylic acid?
The InChIKey is MRBRQGACGDUQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-8-4-3-5(7-8)6(9)10/h2-4H2,1H3,(H,9,10).
What are the key properties of 2-ethyl-3,4-dihydropyrazole-5-carboxylic acid?
2-ethyl-3,4-dihydropyrazole-5-carboxylic acid has a molecular weight of 142.16 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-dihydropyrazole-5-carboxylic acid is sourced from PubChem (CID 159646981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).