ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate

C14H18N4O2 — CID 118564360

IUPACethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CCc2ccnc(C)n2)n1
InChIInChI=1S/C14H18N4O2/c1-4-20-14(19)13-9-10(2)18(17-13)8-6-12-5-7-15-11(3)16-12/h5,7,9H,4,6,8H2,1-3H3
InChIKeyHPNIDCFQHMKOGB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.71
Rot. Bonds5

About ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate

ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate (PubChem CID 118564360) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate
PubChem CID118564360
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CCc2ccnc(C)n2)n1
InChIInChI=1S/C14H18N4O2/c1-4-20-14(19)13-9-10(2)18(17-13)8-6-12-5-7-15-11(3)16-12/h5,7,9H,4,6,8H2,1-3H3
InChIKeyHPNIDCFQHMKOGB-UHFFFAOYSA-N
XLogP1.71
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
CID 90351376
ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate
CID 167877073
carbon dioxide;ethyl 1,5-dimethylpyrazole-3-carboxylate
CID 160757130
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
ethyl 5-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate
CID 144559590
ethyl 2-(propylsulfanylmethyl)pyrimidine-4-carboxylate
CID 165444496
ethyl 1-(4-cyanophenyl)-5-methylpyrazole-3-carboxylate
CID 129139557
ethyl 1-[(2-hydroxy-5-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate
CID 58832830
1-(carboxymethyl)-3-ethoxycarbonylpyrazole-5-carboxylic acid
CID 58646658
ethyl 1-methyl-5-(2-methylpyrimidin-4-yl)pyrrole-3-carboxylate
CID 143781465
1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide
CID 90975733
ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62749628

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate (CID 118564360) is ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate is CCOC(=O)c1cc(C)n(CCc2ccnc(C)n2)n1.
What is the InChIKey of ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate?
The InChIKey is HPNIDCFQHMKOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-20-14(19)13-9-10(2)18(17-13)8-6-12-5-7-15-11(3)16-12/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate?
ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate is sourced from PubChem (CID 118564360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).