2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride

C6H10ClN3O2 — CID 47000728

IUPAC2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride
SMILESCc1cc(N)n(CC(=O)O)n1.Cl
InChIInChI=1S/C6H9N3O2.ClH/c1-4-2-5(7)9(8-4)3-6(10)11;/h2H,3,7H2,1H3,(H,10,11);1H
InChIKeyYPFOTRUPJDITOG-UHFFFAOYSA-N
MW191.62 g/mol
LogP0.28
Rot. Bonds2

About 2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride

2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride (PubChem CID 47000728) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride
PubChem CID47000728
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride
SMILESCc1cc(N)n(CC(=O)O)n1.Cl
InChIInChI=1S/C6H9N3O2.ClH/c1-4-2-5(7)9(8-4)3-6(10)11;/h2H,3,7H2,1H3,(H,10,11);1H
InChIKeyYPFOTRUPJDITOG-UHFFFAOYSA-N
XLogP0.28
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
2-(5-Amino-3-methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 5018373
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292
Ethyl 5-amino-3-methyl-1H-pyrazole-1-acetate
CID 7176034
Methyl 2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetate
CID 50999529
2-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 71757082
2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 75481546
(5-amino-3-methyl-1H-pyrazol-1-yl)acetic acid
CID 4737041
2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 19576750
1,5-Dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 68912972
2-[[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid
CID 154882047
Ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate
CID 79872624

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride (CID 47000728) is 2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride is Cc1cc(N)n(CC(=O)O)n1.Cl.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride?
The InChIKey is YPFOTRUPJDITOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c1-4-2-5(7)9(8-4)3-6(10)11;/h2H,3,7H2,1H3,(H,10,11);1H.
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride?
2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 47000728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).