ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate

C9H16N2O2 — CID 144671830

IUPACethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
SMILESCC.CCOC(=O)c1[nH]ncc1C
InChIInChI=1S/C7H10N2O2.C2H6/c1-3-11-7(10)6-5(2)4-8-9-6;1-2/h4H,3H2,1-2H3,(H,8,9);1-2H3
InChIKeyJGUSYHVRMXBQKU-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.92
Rot. Bonds2

About ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate

ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate (PubChem CID 144671830) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
PubChem CID144671830
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
SMILESCC.CCOC(=O)c1[nH]ncc1C
InChIInChI=1S/C7H10N2O2.C2H6/c1-3-11-7(10)6-5(2)4-8-9-6;1-2/h4H,3H2,1-2H3,(H,8,9);1-2H3
InChIKeyJGUSYHVRMXBQKU-UHFFFAOYSA-N
XLogP1.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;ethyl 4-methyl-1H-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

Related Compounds

4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 115630334
ethyl 4-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 44515223
ethyl 4-but-3-en-2-yl-1H-pyrazole-5-carboxylate
CID 154944069
ethyl 4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-carboxylate
CID 115904616
ethyl 4-iodo-1H-pyrazole-5-carboxylate;ethyl 1H-pyrazole-5-carboxylate
CID 158711948
ethyl 5-(4-methyl-1H-pyrazol-5-yl)-2H-triazole-4-carboxylate
CID 165466848
ethyl 5-(hydroxycarbamothioyl)-1H-pyrazole-4-carboxylate
CID 135528316
ethyl 4-[(1-hydroxypropan-2-ylamino)methyl]-1H-pyrazole-5-carboxylate
CID 115907925
ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate
CID 143506968
ethyl 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrazole-5-carboxylate
CID 138048435

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate?
The IUPAC name of ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate (CID 144671830) is ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate is CC.CCOC(=O)c1[nH]ncc1C.
What is the InChIKey of ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate?
The InChIKey is JGUSYHVRMXBQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.C2H6/c1-3-11-7(10)6-5(2)4-8-9-6;1-2/h4H,3H2,1-2H3,(H,8,9);1-2H3.
What are the key properties of ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate?
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate has a molecular weight of 184.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 144671830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).