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

C7H12N2O2 — CID 140972568

IUPACethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(C)CC1
InChIInChI=1S/C7H12N2O2/c1-3-11-7(10)6-4-5-9(2)8-6/h3-5H2,1-2H3
InChIKeyGNYPCGAMBGIBSM-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.24
Rot. Bonds2

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

ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 140972568) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID140972568
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Nameethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(C)CC1
InChIInChI=1S/C7H12N2O2/c1-3-11-7(10)6-4-5-9(2)8-6/h3-5H2,1-2H3
InChIKeyGNYPCGAMBGIBSM-UHFFFAOYSA-N
XLogP0.24
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(difluoromethyl)-2-methyl-3,4-dihydropyrazole-5-carboxylate
CID 163855991
ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate
CID 322256
Methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate
CID 20662589
Propan-2-yl 2-iodo-3,4-dihydropyrazole-5-carboxylate
CID 89043955
Dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate
CID 118341449
Ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate
CID 123425564
Methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate
CID 141166031
2-Methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 141166052
Ethyl 4-(3,4-dihydropyrazol-2-yl)butanoate
CID 163607107
Methyl 2-acetyl-3,4-dihydropyrazole-5-carboxylate
CID 13566486
Methyl 2,4-dimethyl-3,4-dihydropyrazole-5-carboxylate
CID 129917143
[(4-Hydrazinylidene-5-oxooxolan-2-yl)-methylamino]-methylazanide
CID 163753839

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate (CID 140972568) is ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate is CCOC(=O)C1=NN(C)CC1.
What is the InChIKey of ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is GNYPCGAMBGIBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-11-7(10)6-4-5-9(2)8-6/h3-5H2,1-2H3.
What are the key properties of ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate?
ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 140972568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).