2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride

C7H11ClN2O2 — CID 154857215

IUPAC2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride
SMILESCc1cnn(C)c1CC(=O)O.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-5-4-8-9(2)6(5)3-7(10)11;/h4H,3H2,1-2H3,(H,10,11);1H
InChIKeyIILYHWIIXKULNE-UHFFFAOYSA-N
MW190.63 g/mol
LogP0.78
Rot. Bonds2

About 2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride

2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride (PubChem CID 154857215) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride
PubChem CID154857215
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride
SMILESCc1cnn(C)c1CC(=O)O.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-5-4-8-9(2)6(5)3-7(10)11;/h4H,3H2,1-2H3,(H,10,11);1H
InChIKeyIILYHWIIXKULNE-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride 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-(1-ethyl-3-methyl-1H-pyrazol-4-yl)propanoic acid
CID 6485397
2-(1,4-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 67528971
methyl 2-(1-methyl-1H-pyrazol-3-yl)acetate
CID 13269736
(1-methyl-1H-pyrazol-3-yl)acetic acid
CID 13374526
5-ethyl-1-methyl-1H-pyrazole-4-carboxylic acid
CID 23005672
2-(1,3-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 49879438
2-(1-Isopropyl-1H-pyrazol-5-yl)acetic acid
CID 50896683
2-(1-methyl-1H-pyrazol-5-yl)acetic acid
CID 50896807
2-(1,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 59229531
2-(4-bromo-1-methyl-1H-pyrazol-5-yl)acetic acid
CID 60136501
1H-Pyrazole-3-acetic acid, 1-(difluoromethyl)-
CID 66509397
2-(1-methyl-1H-pyrazol-3-yl)acetic acid hydrochloride
CID 71306210

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride (CID 154857215) is 2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride is Cc1cnn(C)c1CC(=O)O.Cl.
What is the InChIKey of 2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride?
The InChIKey is IILYHWIIXKULNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c1-5-4-8-9(2)6(5)3-7(10)11;/h4H,3H2,1-2H3,(H,10,11);1H.
What are the key properties of 2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride?
2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpyrazol-5-yl)acetic acid;hydrochloride is sourced from PubChem (CID 154857215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).