2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde

C6H9N3O — CID 135395095

IUPAC2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde
SMILESCc1cc(N)nn1CC=O
InChIInChI=1S/C6H9N3O/c1-5-4-6(7)8-9(5)2-3-10/h3-4H,2H2,1H3,(H2,7,8)
InChIKeyRMLOIFIAMMZQFR-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.03
Rot. Bonds2

About 2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde

2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde (PubChem CID 135395095) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde
PubChem CID135395095
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde
SMILESCc1cc(N)nn1CC=O
InChIInChI=1S/C6H9N3O/c1-5-4-6(7)8-9(5)2-3-10/h3-4H,2H2,1H3,(H2,7,8)
InChIKeyRMLOIFIAMMZQFR-UHFFFAOYSA-N
XLogP-0.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde
CID 121211744
methyl 2-[5-methyl-1-(2-oxoethyl)pyrazol-3-yl]acetate
CID 89214887
3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide
CID 130496612
2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol
CID 165483252
1-(cyclopentylmethyl)-5-methylpyrazol-3-amine
CID 126975451
5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine
CID 165479987
5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
CID 7017840
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
5-methyl-1-(6-methylheptyl)pyrazol-3-amine
CID 165483391
5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine
CID 124842731
5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine
CID 165473765
5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine
CID 130496606

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde?
The IUPAC name of 2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde (CID 135395095) is 2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde is Cc1cc(N)nn1CC=O.
What is the InChIKey of 2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde?
The InChIKey is RMLOIFIAMMZQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-5-4-6(7)8-9(5)2-3-10/h3-4H,2H2,1H3,(H2,7,8).
What are the key properties of 2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde?
2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde has a molecular weight of 139.16 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde is sourced from PubChem (CID 135395095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).