5-chloro-4-nitro-1-phenylpyrazole

C9H6ClN3O2 — CID 105481380

IUPAC5-chloro-4-nitro-1-phenylpyrazole
SMILESO=[N+]([O-])c1cnn(-c2ccccc2)c1Cl
InChIInChI=1S/C9H6ClN3O2/c10-9-8(13(14)15)6-11-12(9)7-4-2-1-3-5-7/h1-6H
InChIKeyPDIHNCYCUWRPCZ-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.43
Rot. Bonds2

About 5-chloro-4-nitro-1-phenylpyrazole

5-chloro-4-nitro-1-phenylpyrazole (PubChem CID 105481380) has the molecular formula C9H6ClN3O2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 5-chloro-4-nitro-1-phenylpyrazole.

Molecular Properties

Compound Name5-chloro-4-nitro-1-phenylpyrazole
PubChem CID105481380
Molecular FormulaC9H6ClN3O2
Molecular Weight223.62 g/mol
Exact Mass223.01
IUPAC Name5-chloro-4-nitro-1-phenylpyrazole
SMILESO=[N+]([O-])c1cnn(-c2ccccc2)c1Cl
InChIInChI=1S/C9H6ClN3O2/c10-9-8(13(14)15)6-11-12(9)7-4-2-1-3-5-7/h1-6H
InChIKeyPDIHNCYCUWRPCZ-UHFFFAOYSA-N
XLogP2.43
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole
CID 15041521
5-chloro-1-phenylpyrazol-4-ol
CID 117232897
(5-nitro-1-phenylindazol-4-yl)boronic acid
CID 142737459
5-chloro-4-methoxy-1-phenylpyrazole
CID 117232898
N-(4-chloro-2-nitrophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804190
N-(4-chloro-3-nitrophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804176
5-chloro-4-[(E)-2-nitroethenyl]-1,3-diphenylpyrazole
CID 91927842
4-methyl-N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)benzenesulfonohydrazide
CID 134090030
N'-(5-nitro-3-oxo-2-phenylpyridazin-4-yl)pyridine-4-carbohydrazide
CID 134090056
N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine
CID 167789198
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitropyrazol-5-amine;1-phenylpyrazole
CID 70129953
5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole
CID 19594090

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitro-1-phenylpyrazole?
The IUPAC name of 5-chloro-4-nitro-1-phenylpyrazole (CID 105481380) is 5-chloro-4-nitro-1-phenylpyrazole.
What is the SMILES notation for 5-chloro-4-nitro-1-phenylpyrazole?
The canonical SMILES for 5-chloro-4-nitro-1-phenylpyrazole is O=[N+]([O-])c1cnn(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-4-nitro-1-phenylpyrazole?
The InChIKey is PDIHNCYCUWRPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2/c10-9-8(13(14)15)6-11-12(9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 5-chloro-4-nitro-1-phenylpyrazole?
5-chloro-4-nitro-1-phenylpyrazole has a molecular weight of 223.62 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitro-1-phenylpyrazole is sourced from PubChem (CID 105481380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).