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

C7H12N2O2 — CID 158096426

IUPACethyl 2-methyl-3,4-dihydropyrazole-4-carboxylate
SMILESCCOC(=O)C1C=NN(C)C1
InChIInChI=1S/C7H12N2O2/c1-3-11-7(10)6-4-8-9(2)5-6/h4,6H,3,5H2,1-2H3
InChIKeyYZPNGXNYPOSZSF-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.10
Rot. Bonds2

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

ethyl 2-methyl-3,4-dihydropyrazole-4-carboxylate (PubChem CID 158096426) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethyl 2-methyl-3,4-dihydropyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-3,4-dihydropyrazole-4-carboxylate
PubChem CID158096426
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Nameethyl 2-methyl-3,4-dihydropyrazole-4-carboxylate
SMILESCCOC(=O)C1C=NN(C)C1
InChIInChI=1S/C7H12N2O2/c1-3-11-7(10)6-4-8-9(2)5-6/h4,6H,3,5H2,1-2H3
InChIKeyYZPNGXNYPOSZSF-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Hvfopnamkwihbe-vmpitwqzsa-
CID 13215911
Ethyl 3-amino-2-methyl-3,4-dihydropyrazole-4-carboxylate
CID 16638019
CID 88914249
CID 88914249
ethyl (3Z)-3-(dimethylhydrazinylidene)propanoate
CID 88997696
Ethyl 2,3-dimethyl-3,4-dihydropyrazole-4-carboxylate
CID 89135939
methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate
CID 146362939
Ethyl 2-ethyl-3,4-dihydropyrazole-4-carboxylate
CID 156480001
Methyl 3-(dimethylhydrazinylidene)-2-methylpropanoate
CID 73178874
ethyl 1-methyl-5-oxo-4H-pyrazole-4-carboxylate
CID 79002182

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3,4-dihydropyrazole-4-carboxylate?
The IUPAC name of ethyl 2-methyl-3,4-dihydropyrazole-4-carboxylate (CID 158096426) is ethyl 2-methyl-3,4-dihydropyrazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-3,4-dihydropyrazole-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-3,4-dihydropyrazole-4-carboxylate is CCOC(=O)C1C=NN(C)C1.
What is the InChIKey of ethyl 2-methyl-3,4-dihydropyrazole-4-carboxylate?
The InChIKey is YZPNGXNYPOSZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-11-7(10)6-4-8-9(2)5-6/h4,6H,3,5H2,1-2H3.
What are the key properties of ethyl 2-methyl-3,4-dihydropyrazole-4-carboxylate?
ethyl 2-methyl-3,4-dihydropyrazole-4-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.10, 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-4-carboxylate is sourced from PubChem (CID 158096426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).