ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate

C11H18N2O2 — CID 112727118

IUPACethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)nn1CC
InChIInChI=1S/C11H18N2O2/c1-5-13-10(11(14)15-6-2)7-9(12-13)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyWXDSDFPOEHLGSA-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.20
Rot. Bonds4

About ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate

ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate (PubChem CID 112727118) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate
PubChem CID112727118
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)nn1CC
InChIInChI=1S/C11H18N2O2/c1-5-13-10(11(14)15-6-2)7-9(12-13)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyWXDSDFPOEHLGSA-UHFFFAOYSA-N
XLogP2.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-ethyl-3-nitropyrazole-5-carboxylate
CID 119056313
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
(2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate
CID 75485125
ethyl 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylate
CID 59984579
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 61247059
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
CID 43360868
(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 106164346
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 43170287
(2S,3R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 104965026
1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 65109682
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357745

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate (CID 112727118) is ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate is CCOC(=O)c1cc(C(C)C)nn1CC.
What is the InChIKey of ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate?
The InChIKey is WXDSDFPOEHLGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-13-10(11(14)15-6-2)7-9(12-13)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate?
ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate has a molecular weight of 210.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate is sourced from PubChem (CID 112727118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).