ethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate

C8H10F2N2O2 — CID 66583237

IUPACethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C(F)F)n[nH]c1C
InChIInChI=1S/C8H10F2N2O2/c1-3-14-8(13)5-4(2)11-12-6(5)7(9)10/h7H,3H2,1-2H3,(H,11,12)
InChIKeyHBDPTMHOVIXFQH-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.83
Rot. Bonds3

About ethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate

ethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate (PubChem CID 66583237) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is ethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate
PubChem CID66583237
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Nameethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C(F)F)n[nH]c1C
InChIInChI=1S/C8H10F2N2O2/c1-3-14-8(13)5-4(2)11-12-6(5)7(9)10/h7H,3H2,1-2H3,(H,11,12)
InChIKeyHBDPTMHOVIXFQH-UHFFFAOYSA-N
XLogP1.83
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-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 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate (CID 66583237) is ethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate is CCOC(=O)c1c(C(F)F)n[nH]c1C.
What is the InChIKey of ethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate?
The InChIKey is HBDPTMHOVIXFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-3-14-8(13)5-4(2)11-12-6(5)7(9)10/h7H,3H2,1-2H3,(H,11,12).
What are the key properties of ethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate?
ethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate has a molecular weight of 204.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 66583237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).