ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate

C9H15N3O2 — CID 14049154

IUPACethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(N(C)C)nn1C
InChIInChI=1S/C9H15N3O2/c1-5-14-9(13)7-6-8(11(2)3)10-12(7)4/h6H,5H2,1-4H3
InChIKeyCREBDRRGJCBCBK-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.66
Rot. Bonds3

About ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate

ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate (PubChem CID 14049154) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate
PubChem CID14049154
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(N(C)C)nn1C
InChIInChI=1S/C9H15N3O2/c1-5-14-9(13)7-6-8(11(2)3)10-12(7)4/h6H,5H2,1-4H3
InChIKeyCREBDRRGJCBCBK-UHFFFAOYSA-N
XLogP0.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(dimethylamino)-1-methylpyrazole-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

Related Compounds

3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid
CID 83864166
ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate
CID 4083925
ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate
CID 170337369
ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
CID 59946948
ethyl 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 26597179
ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate
CID 19278164
ethyl 3-[1-adamantyl(methyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19278155
ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
CID 143899550
ethyl 3-(butan-2-ylcarbamoyl)-1-methylpyrazole-5-carboxylate
CID 19267074
ethyl 3-(2-bromoprop-2-enoylamino)-1-methylpyrazole-5-carboxylate
CID 54181653
ethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylate
CID 14488339
ethyl 1-methyl-3-(octadecylcarbamoyl)pyrazole-5-carboxylate
CID 19266999

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate (CID 14049154) is ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate is CCOC(=O)c1cc(N(C)C)nn1C.
What is the InChIKey of ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate?
The InChIKey is CREBDRRGJCBCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5-14-9(13)7-6-8(11(2)3)10-12(7)4/h6H,5H2,1-4H3.
What are the key properties of ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate?
ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate has a molecular weight of 197.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 14049154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).