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

C8H14N2O2 — CID 20662589

IUPACmethyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCN1N=C(C(=O)OC)CC1C
InChIInChI=1S/C8H14N2O2/c1-4-10-6(2)5-7(9-10)8(11)12-3/h6H,4-5H2,1-3H3
InChIKeyZVQCOVHRTKSAOM-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.63
Rot. Bonds2

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

methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 20662589) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID20662589
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Namemethyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCN1N=C(C(=O)OC)CC1C
InChIInChI=1S/C8H14N2O2/c1-4-10-6(2)5-7(9-10)8(11)12-3/h6H,4-5H2,1-3H3
InChIKeyZVQCOVHRTKSAOM-UHFFFAOYSA-N
XLogP0.63
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Tert-butyl-3-methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 68243669
Ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate
CID 123425564
Ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate
CID 140972568
Methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate
CID 141166031
2-Ethoxycarbonyl-3-methyl-3,4-dihydropyrazole-5-carboxylate
CID 17861895
Methyl 2-acetyl-3-methyl-3,4-dihydropyrazole-5-carboxylate
CID 129917307
2,3-Dimethyl-3,4-dihydropyrazole-5-carboxylic acid
CID 145765295

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate (CID 20662589) is methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate is CCN1N=C(C(=O)OC)CC1C.
What is the InChIKey of methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is ZVQCOVHRTKSAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-10-6(2)5-7(9-10)8(11)12-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate?
methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 20662589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).