methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate

C6H10N2O2 — CID 141166031

IUPACmethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate
SMILESCOC(=O)C1=NN(C)CC1
InChIInChI=1S/C6H10N2O2/c1-8-4-3-5(7-8)6(9)10-2/h3-4H2,1-2H3
InChIKeyJNKVBIOOMSOLNA-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.15
Rot. Bonds1

About methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate

methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 141166031) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID141166031
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Namemethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate
SMILESCOC(=O)C1=NN(C)CC1
InChIInChI=1S/C6H10N2O2/c1-8-4-3-5(7-8)6(9)10-2/h3-4H2,1-2H3
InChIKeyJNKVBIOOMSOLNA-UHFFFAOYSA-N
XLogP-0.15
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2Z)-2-(dimethylhydrazinylidene)butanoate
CID 5893541
methyl (2E)-2-(dimethylhydrazinylidene)butanoate
CID 5385097
Methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate
CID 20662589
Dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate
CID 118341449
Ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate
CID 123425564
Ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate
CID 140972568
2-Methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 141166052
2-Ethyl-3,4-dihydropyrazole-5-carboxylic acid
CID 159646981
Methyl 2-(2-methoxy-2-oxoethyl)-3,4-dihydropyrazole-5-carboxylate
CID 174442539
Methyl 2-(dimethylhydrazinylidene)butanoate
CID 343161
Methyl 2-acetyl-3,4-dihydropyrazole-5-carboxylate
CID 13566486
methyl 1-methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 66486687

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate (CID 141166031) is methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate is COC(=O)C1=NN(C)CC1.
What is the InChIKey of methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is JNKVBIOOMSOLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-8-4-3-5(7-8)6(9)10-2/h3-4H2,1-2H3.
What are the key properties of methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate?
methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 142.16 g/mol, XLogP of -0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 141166031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).