ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate

C17H23N3O2 — CID 167877073

IUPACethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(CC(C)C)n(CCc2ccccn2)n1
InChIInChI=1S/C17H23N3O2/c1-4-22-17(21)16-12-15(11-13(2)3)20(19-16)10-8-14-7-5-6-9-18-14/h5-7,9,12-13H,4,8,10-11H2,1-3H3
InChIKeyOMEUJLXYTQMGPO-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.90
Rot. Bonds7

About ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate

ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate (PubChem CID 167877073) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate
PubChem CID167877073
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Nameethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(CC(C)C)n(CCc2ccccn2)n1
InChIInChI=1S/C17H23N3O2/c1-4-22-17(21)16-12-15(11-13(2)3)20(19-16)10-8-14-7-5-6-9-18-14/h5-7,9,12-13H,4,8,10-11H2,1-3H3
InChIKeyOMEUJLXYTQMGPO-UHFFFAOYSA-N
XLogP2.90
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate
CID 118564360
5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide
CID 66958846
ethyl pyridine-2-carboxylate
CID 17307
ethyl 5-propan-2-yl-1-(pyridin-2-ylmethyl)triazole-4-carboxylate
CID 103105342
ethyl 5-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyrazole-3-carboxylate
CID 167774944
ethyl 1,3,5-trimethyl-4-[2-[3-methylbutanoyl(2-pyridin-2-ylethyl)amino]acetyl]pyrrole-2-carboxylate
CID 42672574
ethyl 5-(chloromethyl)-1-(pyridin-2-ylmethyl)triazole-4-carboxylate
CID 103109359
ethyl (2R)-2-[[4-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate
CID 95636163
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
ethyl 3-(2-pyridin-2-ylethoxy)butanoate
CID 115001946
2-ethoxycarbonyl-3-methyl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 103974346
ethyl 1-(2-methylphenyl)-5-(2-methylpropoxy)pyrazole-3-carboxylate
CID 23157226

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate (CID 167877073) is ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(CC(C)C)n(CCc2ccccn2)n1.
What is the InChIKey of ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate?
The InChIKey is OMEUJLXYTQMGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-22-17(21)16-12-15(11-13(2)3)20(19-16)10-8-14-7-5-6-9-18-14/h5-7,9,12-13H,4,8,10-11H2,1-3H3.
What are the key properties of ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate?
ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 167877073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).