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

C6H9N3O2 — CID 4737041

IUPAC2-(5-amino-3-methylpyrazol-1-yl)acetic acid
SMILESCc1cc(N)n(CC(=O)O)n1
InChIInChI=1S/C6H9N3O2/c1-4-2-5(7)9(8-4)3-6(10)11/h2H,3,7H2,1H3,(H,10,11)
InChIKeyHHWFOORIDAKLNX-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.14
Rot. Bonds2

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

2-(5-amino-3-methylpyrazol-1-yl)acetic acid (PubChem CID 4737041) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)acetic acid
PubChem CID4737041
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)acetic acid
SMILESCc1cc(N)n(CC(=O)O)n1
InChIInChI=1S/C6H9N3O2/c1-4-2-5(7)9(8-4)3-6(10)11/h2H,3,7H2,1H3,(H,10,11)
InChIKeyHHWFOORIDAKLNX-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

1-Isopropyl-3-methyl-1H-pyrazol-5-amine
CID 121018
1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
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
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292
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-(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
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)acetic acid (CID 4737041) is 2-(5-amino-3-methylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)acetic acid is Cc1cc(N)n(CC(=O)O)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)acetic acid?
The InChIKey is HHWFOORIDAKLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4-2-5(7)9(8-4)3-6(10)11/h2H,3,7H2,1H3,(H,10,11).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)acetic acid?
2-(5-amino-3-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-(5-amino-3-methylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 4737041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).