5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride

C7H11ClN2O2 — CID 54594161

IUPAC5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
SMILESCCc1c(C(=O)O)cnn1C.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-3-6-5(7(10)11)4-8-9(6)2;/h4H,3H2,1-2H3,(H,10,11);1H
InChIKeyHVDWKKOIAGJTGL-UHFFFAOYSA-N
MW190.63 g/mol
LogP1.10
Rot. Bonds2

About 5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride

5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride (PubChem CID 54594161) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
PubChem CID54594161
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
SMILESCCc1c(C(=O)O)cnn1C.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-3-6-5(7(10)11)4-8-9(6)2;/h4H,3H2,1-2H3,(H,10,11);1H
InChIKeyHVDWKKOIAGJTGL-UHFFFAOYSA-N
XLogP1.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 75468759
1-(5-ethyl-1-methylpyrazol-4-yl)ethanone
CID 23005694
5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride
CID 130616096
1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid
CID 116630240
1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid
CID 116629642
2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 115731144
(2S)-2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 103790993
1-methyl-5-(2-propoxyethoxymethyl)pyrazole-4-carboxylic acid
CID 116629771
1-methyl-5-[[methyl(pentan-3-yl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631806
5-(tert-butylsulfonylmethyl)-1-methylpyrazole-4-carboxylic acid
CID 116630464
5-[[butyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631717
5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631752

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride (CID 54594161) is 5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride is CCc1c(C(=O)O)cnn1C.Cl.
What is the InChIKey of 5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride?
The InChIKey is HVDWKKOIAGJTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c1-3-6-5(7(10)11)4-8-9(6)2;/h4H,3H2,1-2H3,(H,10,11);1H.
What are the key properties of 5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride?
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 54594161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).