ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate

C13H23N3O2 — CID 55173850

IUPACethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCN(C)C)c1C(C)C
InChIInChI=1S/C13H23N3O2/c1-6-18-13(17)11-9-14-16(8-7-15(4)5)12(11)10(2)3/h9-10H,6-8H2,1-5H3
InChIKeyCKPLMPIBVHAPLT-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.74
Rot. Bonds6

About ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate

ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate (PubChem CID 55173850) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate
PubChem CID55173850
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Nameethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCN(C)C)c1C(C)C
InChIInChI=1S/C13H23N3O2/c1-6-18-13(17)11-9-14-16(8-7-15(4)5)12(11)10(2)3/h9-10H,6-8H2,1-5H3
InChIKeyCKPLMPIBVHAPLT-UHFFFAOYSA-N
XLogP1.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-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

Related Compounds

ethyl 1-benzyl-5-propan-2-ylpyrazole-4-carboxylate
CID 60768852
ethyl 5-(difluoromethyl)-1-(2-hydroxyethyl)pyrazole-4-carboxylate
CID 63235025
ethyl 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 55175786
2-[4-(aminomethyl)-5-propan-2-ylpyrazol-1-yl]-N,N-dimethylethanamine
CID 66439965
ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate
CID 155487137
ethyl 5-methyl-1-(3-methylbutyl)pyrazole-4-carboxylate
CID 63235032
ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 43145818
ethyl 5-[[1-(dimethylamino)propan-2-ylamino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631467
methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate
CID 102643839
ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate
CID 82589008
ethyl 1-(2-amino-2-sulfanylideneethyl)-5-methylpyrazole-4-carboxylate
CID 58127856
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate (CID 55173850) is ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate is CCOC(=O)c1cnn(CCN(C)C)c1C(C)C.
What is the InChIKey of ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate?
The InChIKey is CKPLMPIBVHAPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-18-13(17)11-9-14-16(8-7-15(4)5)12(11)10(2)3/h9-10H,6-8H2,1-5H3.
What are the key properties of ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate?
ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate has a molecular weight of 253.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 55173850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).