ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid

C10H18N2O2 — CID 170618736

IUPACethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
SMILESCC.CCc1c(C)c(C(=O)O)nn1C
InChIInChI=1S/C8H12N2O2.C2H6/c1-4-6-5(2)7(8(11)12)9-10(6)3;1-2/h4H2,1-3H3,(H,11,12);1-2H3
InChIKeySDFJBCPFYMKTOK-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.02
Rot. Bonds2

About ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid

ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid (PubChem CID 170618736) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Nameethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
PubChem CID170618736
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
SMILESCC.CCc1c(C)c(C(=O)O)nn1C
InChIInChI=1S/C8H12N2O2.C2H6/c1-4-6-5(2)7(8(11)12)9-10(6)3;1-2/h4H2,1-3H3,(H,11,12);1-2H3
InChIKeySDFJBCPFYMKTOK-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid 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

1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 105450095
5-ethyl-4-iodo-1-methylpyrazole-3-carboxylic acid
CID 62268895
4-bromo-5-(hydroxymethyl)-1-methylpyrazole-3-carboxylic acid
CID 171366923
5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 105438703
1-ethyl-4,5-dimethylpyrazole-3-carboxylic acid
CID 89432142
3,5-diethyl-1,4-dimethylpyrazole
CID 44720131
1,5-dimethylpyrazole-3,4-dicarboxylic acid
CID 10559376
1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone
CID 143368389
1,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazole-3-carboxylic acid
CID 154037045
5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid
CID 102533847
1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid
CID 102533846
4-chloro-5-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 83705085

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid?
The IUPAC name of ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid (CID 170618736) is ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid.
What is the SMILES notation for ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid?
The canonical SMILES for ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid is CC.CCc1c(C)c(C(=O)O)nn1C.
What is the InChIKey of ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid?
The InChIKey is SDFJBCPFYMKTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.C2H6/c1-4-6-5(2)7(8(11)12)9-10(6)3;1-2/h4H2,1-3H3,(H,11,12);1-2H3.
What are the key properties of ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid?
ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 170618736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).