4-azido-1-phenylpyrazole

C9H7N5 — CID 151030073

IUPAC4-azido-1-phenylpyrazole
SMILES[N-]=[N+]=Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C9H7N5/c10-13-12-8-6-11-14(7-8)9-4-2-1-3-5-9/h1-7H
InChIKeyLZWGQCSDWDGBTD-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.81
Rot. Bonds2

About 4-azido-1-phenylpyrazole

4-azido-1-phenylpyrazole (PubChem CID 151030073) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 4-azido-1-phenylpyrazole.

Molecular Properties

Compound Name4-azido-1-phenylpyrazole
PubChem CID151030073
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name4-azido-1-phenylpyrazole
SMILES[N-]=[N+]=Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C9H7N5/c10-13-12-8-6-11-14(7-8)9-4-2-1-3-5-9/h1-7H
InChIKeyLZWGQCSDWDGBTD-UHFFFAOYSA-N
XLogP2.81
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 52.81
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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Related Compounds

(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(1-phenylpyrazol-4-yl)boronic acid
CID 43145398
3-(1-phenylpyrazol-4-yl)prop-2-ynal
CID 22631148
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
1-phenyl-4-propylpyrazole
CID 12902534
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199
4-diphenylphosphoryl-1-phenylpyrazole
CID 140712831
4-nitro-1-phenylpyrazole
CID 2755894
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine
CID 4068272
2-(3-hydroxypropoxy)-2-(1-phenylpyrazol-4-yl)acetonitrile
CID 103376511

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-phenylpyrazole?
The IUPAC name of 4-azido-1-phenylpyrazole (CID 151030073) is 4-azido-1-phenylpyrazole.
What is the SMILES notation for 4-azido-1-phenylpyrazole?
The canonical SMILES for 4-azido-1-phenylpyrazole is [N-]=[N+]=Nc1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-azido-1-phenylpyrazole?
The InChIKey is LZWGQCSDWDGBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c10-13-12-8-6-11-14(7-8)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 4-azido-1-phenylpyrazole?
4-azido-1-phenylpyrazole has a molecular weight of 185.19 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-phenylpyrazole is sourced from PubChem (CID 151030073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).