ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate

C11H12N4O2 — CID 135319051

IUPACethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cnc(C)nc2)n[nH]1
InChIInChI=1S/C11H12N4O2/c1-3-17-11(16)10-4-9(14-15-10)8-5-12-7(2)13-6-8/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeySBMFTPQTUDQNAI-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.35
Rot. Bonds3

About ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate

ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate (PubChem CID 135319051) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate
PubChem CID135319051
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Nameethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cnc(C)nc2)n[nH]1
InChIInChI=1S/C11H12N4O2/c1-3-17-11(16)10-4-9(14-15-10)8-5-12-7(2)13-6-8/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeySBMFTPQTUDQNAI-UHFFFAOYSA-N
XLogP1.35
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938
ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
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ethyl 3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylate
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ethyl 3-(3-cyano-4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 71087899
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
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ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
CID 56675418
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
ethyl 3-fluorosulfanyloxy-1H-pyrazole-5-carboxylate
CID 172573024
propyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
CID 35607819
ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate
CID 68993564
ethyl 5-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]-1-methylpyrazole-3-carboxylate;ethyl 3-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]-1H-pyrazole-5-carboxylate
CID 175894809

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate (CID 135319051) is ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2cnc(C)nc2)n[nH]1.
What is the InChIKey of ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is SBMFTPQTUDQNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-3-17-11(16)10-4-9(14-15-10)8-5-12-7(2)13-6-8/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate?
ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 135319051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).