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

C7H11N3O2 — CID 3159650

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1N
InChIInChI=1S/C7H11N3O2/c1-4-7(8)5(2)10(9-4)3-6(11)12/h3,8H2,1-2H3,(H,11,12)
InChIKeyJNPJNBBUGOGDFW-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.17
Rot. Bonds2

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

2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid (PubChem CID 3159650) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid
PubChem CID3159650
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1N
InChIInChI=1S/C7H11N3O2/c1-4-7(8)5(2)10(9-4)3-6(11)12/h3,8H2,1-2H3,(H,11,12)
InChIKeyJNPJNBBUGOGDFW-UHFFFAOYSA-N
XLogP0.17
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
1-ethyl-3,5-dimethyl-1H-pyrazol-4-amine
CID 1125228
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CID 819616
1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 28412447
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoic acid
CID 3156566
[3-(difluoromethyl)-5-methyl-4-nitro-1H-pyrazol-1-yl]acetic acid
CID 1419117
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
2-(4-amino-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid dihydrochloride
CID 54594849

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid (CID 3159650) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid is Cc1nn(CC(=O)O)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid?
The InChIKey is JNPJNBBUGOGDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-7(8)5(2)10(9-4)3-6(11)12/h3,8H2,1-2H3,(H,11,12).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid?
2-(4-amino-3,5-dimethylpyrazol-1-yl)acetic acid has a molecular weight of 169.18 g/mol, XLogP of 0.17, 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 is sourced from PubChem (CID 3159650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).