ethyl 4-methyl-3H-pyrazole-5-carboxylate

C7H10N2O2 — CID 154728037

IUPACethyl 4-methyl-3H-pyrazole-5-carboxylate
SMILESCCOC(=O)C1=C(C)CN=N1
InChIInChI=1S/C7H10N2O2/c1-3-11-7(10)6-5(2)4-8-9-6/h3-4H2,1-2H3
InChIKeyIXHZTUOYSMBICD-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.29
Rot. Bonds2

About ethyl 4-methyl-3H-pyrazole-5-carboxylate

ethyl 4-methyl-3H-pyrazole-5-carboxylate (PubChem CID 154728037) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is ethyl 4-methyl-3H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-3H-pyrazole-5-carboxylate
PubChem CID154728037
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nameethyl 4-methyl-3H-pyrazole-5-carboxylate
SMILESCCOC(=O)C1=C(C)CN=N1
InChIInChI=1S/C7H10N2O2/c1-3-11-7(10)6-5(2)4-8-9-6/h3-4H2,1-2H3
InChIKeyIXHZTUOYSMBICD-UHFFFAOYSA-N
XLogP1.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-methyl-3H-pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-3H-pyrazole-5-carboxylate (CID 154728037) is ethyl 4-methyl-3H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-3H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-3H-pyrazole-5-carboxylate is CCOC(=O)C1=C(C)CN=N1.
What is the InChIKey of ethyl 4-methyl-3H-pyrazole-5-carboxylate?
The InChIKey is IXHZTUOYSMBICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-11-7(10)6-5(2)4-8-9-6/h3-4H2,1-2H3.
What are the key properties of ethyl 4-methyl-3H-pyrazole-5-carboxylate?
ethyl 4-methyl-3H-pyrazole-5-carboxylate has a molecular weight of 154.17 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3H-pyrazole-5-carboxylate is sourced from PubChem (CID 154728037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).