3-amino-5-methyl-1H-pyrazole-4-carbaldehyde

C5H7N3O — CID 15687151

IUPAC3-amino-5-methyl-1H-pyrazole-4-carbaldehyde
SMILESCc1[nH]nc(N)c1C=O
InChIInChI=1S/C5H7N3O/c1-3-4(2-9)5(6)8-7-3/h2H,1H3,(H3,6,7,8)
InChIKeyCMNZLSJXNCMUCN-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.11
Rot. Bonds1

About 3-amino-5-methyl-1H-pyrazole-4-carbaldehyde

3-amino-5-methyl-1H-pyrazole-4-carbaldehyde (PubChem CID 15687151) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-amino-5-methyl-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-amino-5-methyl-1H-pyrazole-4-carbaldehyde
PubChem CID15687151
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name3-amino-5-methyl-1H-pyrazole-4-carbaldehyde
SMILESCc1[nH]nc(N)c1C=O
InChIInChI=1S/C5H7N3O/c1-3-4(2-9)5(6)8-7-3/h2H,1H3,(H3,6,7,8)
InChIKeyCMNZLSJXNCMUCN-UHFFFAOYSA-N
XLogP0.11
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 3-amino-5-methyl-1H-pyrazole-4-carbaldehyde (CID 15687151) is 3-amino-5-methyl-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-amino-5-methyl-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 3-amino-5-methyl-1H-pyrazole-4-carbaldehyde is Cc1[nH]nc(N)c1C=O.
What is the InChIKey of 3-amino-5-methyl-1H-pyrazole-4-carbaldehyde?
The InChIKey is CMNZLSJXNCMUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-3-4(2-9)5(6)8-7-3/h2H,1H3,(H3,6,7,8).
What are the key properties of 3-amino-5-methyl-1H-pyrazole-4-carbaldehyde?
3-amino-5-methyl-1H-pyrazole-4-carbaldehyde has a molecular weight of 125.13 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 15687151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).