5-azido-1-methylpyrazole-4-carbaldehyde

C5H5N5O — CID 15145025

IUPAC5-azido-1-methylpyrazole-4-carbaldehyde
SMILESCn1ncc(C=O)c1N=[N+]=[N-]
InChIInChI=1S/C5H5N5O/c1-10-5(8-9-6)4(3-11)2-7-10/h2-3H,1H3
InChIKeyULCHOHKPYBNZJR-UHFFFAOYSA-N
MW151.13 g/mol
LogP1.17
Rot. Bonds2

About 5-azido-1-methylpyrazole-4-carbaldehyde

5-azido-1-methylpyrazole-4-carbaldehyde (PubChem CID 15145025) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 5-azido-1-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-azido-1-methylpyrazole-4-carbaldehyde
PubChem CID15145025
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name5-azido-1-methylpyrazole-4-carbaldehyde
SMILESCn1ncc(C=O)c1N=[N+]=[N-]
InChIInChI=1S/C5H5N5O/c1-10-5(8-9-6)4(3-11)2-7-10/h2-3H,1H3
InChIKeyULCHOHKPYBNZJR-UHFFFAOYSA-N
XLogP1.17
TPSA83.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-azido-1-methylpyrazole-4-carbaldehyde?
The IUPAC name of 5-azido-1-methylpyrazole-4-carbaldehyde (CID 15145025) is 5-azido-1-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-azido-1-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-azido-1-methylpyrazole-4-carbaldehyde is Cn1ncc(C=O)c1N=[N+]=[N-].
What is the InChIKey of 5-azido-1-methylpyrazole-4-carbaldehyde?
The InChIKey is ULCHOHKPYBNZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c1-10-5(8-9-6)4(3-11)2-7-10/h2-3H,1H3.
What are the key properties of 5-azido-1-methylpyrazole-4-carbaldehyde?
5-azido-1-methylpyrazole-4-carbaldehyde has a molecular weight of 151.13 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-1-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 15145025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).