4-(azidomethyl)-1,5-dimethylpyrazole

C6H9N5 — CID 150005972

IUPAC4-(azidomethyl)-1,5-dimethylpyrazole
SMILESCc1c(CN=[N+]=[N-])cnn1C
InChIInChI=1S/C6H9N5/c1-5-6(3-8-10-7)4-9-11(5)2/h4H,3H2,1-2H3
InChIKeyDCGZWWWYFJAEQN-UHFFFAOYSA-N
MW151.17 g/mol
LogP1.54
Rot. Bonds2

About 4-(azidomethyl)-1,5-dimethylpyrazole

4-(azidomethyl)-1,5-dimethylpyrazole (PubChem CID 150005972) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-(azidomethyl)-1,5-dimethylpyrazole.

Molecular Properties

Compound Name4-(azidomethyl)-1,5-dimethylpyrazole
PubChem CID150005972
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name4-(azidomethyl)-1,5-dimethylpyrazole
SMILESCc1c(CN=[N+]=[N-])cnn1C
InChIInChI=1S/C6H9N5/c1-5-6(3-8-10-7)4-9-11(5)2/h4H,3H2,1-2H3
InChIKeyDCGZWWWYFJAEQN-UHFFFAOYSA-N
XLogP1.54
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 4-(azidomethyl)-1,5-dimethylpyrazole?
The IUPAC name of 4-(azidomethyl)-1,5-dimethylpyrazole (CID 150005972) is 4-(azidomethyl)-1,5-dimethylpyrazole.
What is the SMILES notation for 4-(azidomethyl)-1,5-dimethylpyrazole?
The canonical SMILES for 4-(azidomethyl)-1,5-dimethylpyrazole is Cc1c(CN=[N+]=[N-])cnn1C.
What is the InChIKey of 4-(azidomethyl)-1,5-dimethylpyrazole?
The InChIKey is DCGZWWWYFJAEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-5-6(3-8-10-7)4-9-11(5)2/h4H,3H2,1-2H3.
What are the key properties of 4-(azidomethyl)-1,5-dimethylpyrazole?
4-(azidomethyl)-1,5-dimethylpyrazole has a molecular weight of 151.17 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1,5-dimethylpyrazole is sourced from PubChem (CID 150005972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).