2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride

C7H13Cl2N3O2 — CID 54594849

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride
SMILESCc1nn(CC(=O)O)c(C)c1N.Cl.Cl
InChIInChI=1S/C7H11N3O2.2ClH/c1-4-7(8)5(2)10(9-4)3-6(11)12;;/h3,8H2,1-2H3,(H,11,12);2*1H
InChIKeyWVBGRPWYFZEBGO-UHFFFAOYSA-N
MW242.11 g/mol
LogP1.01
Rot. Bonds2

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride

2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride (PubChem CID 54594849) has the molecular formula C7H13Cl2N3O2 and a molecular weight of 242.11 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride
PubChem CID54594849
Molecular FormulaC7H13Cl2N3O2
Molecular Weight242.11 g/mol
Exact Mass241.04
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride
SMILESCc1nn(CC(=O)O)c(C)c1N.Cl.Cl
InChIInChI=1S/C7H11N3O2.2ClH/c1-4-7(8)5(2)10(9-4)3-6(11)12;;/h3,8H2,1-2H3,(H,11,12);2*1H
InChIKeyWVBGRPWYFZEBGO-UHFFFAOYSA-N
XLogP1.01
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride 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-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CID 919266
(3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid
CID 572875
2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetic acid
CID 651055
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetic acid
CID 722518
(4-Amino-3,5-dimethyl-pyrazol-1-yl)-acetic acid
CID 3159650
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CID 819616
Methyl 2-(4-amino-3,5-dimethyl-1H-pyrazol-1-YL)acetate
CID 28412419
(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid dihydrochloride hydrate
CID 47000688
methyl 3-(4-amino-3,5-dimethyl-1H-pyrazol-1-yl)propanoate
CID 63948693
2-[4-Chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid
CID 71056319
ethyl (4-amino-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1507039
(2S)-2-((1,3,5-Trimethylpyrazol-4-yl)amino)propanoic acid
CID 176706

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride (CID 54594849) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride is Cc1nn(CC(=O)O)c(C)c1N.Cl.Cl.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride?
The InChIKey is WVBGRPWYFZEBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.2ClH/c1-4-7(8)5(2)10(9-4)3-6(11)12;;/h3,8H2,1-2H3,(H,11,12);2*1H.
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride?
2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride has a molecular weight of 242.11 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid;dihydrochloride is sourced from PubChem (CID 54594849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).