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

C6H9N3O2 — CID 19576750

IUPAC2-(3-amino-5-methylpyrazol-1-yl)acetic acid
SMILESCc1cc(N)nn1CC(=O)O
InChIInChI=1S/C6H9N3O2/c1-4-2-5(7)8-9(4)3-6(10)11/h2H,3H2,1H3,(H2,7,8)(H,10,11)
InChIKeyOBTVEFHNTMGJFY-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.14
Rot. Bonds2

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

2-(3-amino-5-methylpyrazol-1-yl)acetic acid (PubChem CID 19576750) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(3-amino-5-methylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-5-methylpyrazol-1-yl)acetic acid
PubChem CID19576750
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(3-amino-5-methylpyrazol-1-yl)acetic acid
SMILESCc1cc(N)nn1CC(=O)O
InChIInChI=1S/C6H9N3O2/c1-4-2-5(7)8-9(4)3-6(10)11/h2H,3H2,1H3,(H2,7,8)(H,10,11)
InChIKeyOBTVEFHNTMGJFY-UHFFFAOYSA-N
XLogP-0.14
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Amino-3-methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 5018373
(5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic acid
CID 1230023
1-ethyl-5-methyl-1H-pyrazol-3-amine
CID 6485384
Ethyl 5-amino-3-methyl-1H-pyrazole-1-acetate
CID 7176034
2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 47000728
Methyl 2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetate
CID 50999529
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
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
Methyl 4-(3-amino-5-methylpyrazolyl)butanoate
CID 5200218
Ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate
CID 79872624

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(3-amino-5-methylpyrazol-1-yl)acetic acid (CID 19576750) is 2-(3-amino-5-methylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-5-methylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-amino-5-methylpyrazol-1-yl)acetic acid is Cc1cc(N)nn1CC(=O)O.
What is the InChIKey of 2-(3-amino-5-methylpyrazol-1-yl)acetic acid?
The InChIKey is OBTVEFHNTMGJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4-2-5(7)8-9(4)3-6(10)11/h2H,3H2,1H3,(H2,7,8)(H,10,11).
What are the key properties of 2-(3-amino-5-methylpyrazol-1-yl)acetic acid?
2-(3-amino-5-methylpyrazol-1-yl)acetic acid has a molecular weight of 155.16 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 19576750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).