5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole

C11H10ClN3O2 — CID 12061634

IUPAC5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole
SMILESCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C11H10ClN3O2/c1-2-14-11(12)7-10(13-14)8-3-5-9(6-4-8)15(16)17/h3-7H,2H2,1H3
InChIKeyWXMVKCNSCPECCZ-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.13
Rot. Bonds3

About 5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole

5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole (PubChem CID 12061634) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole.

Molecular Properties

Compound Name5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole
PubChem CID12061634
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole
SMILESCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C11H10ClN3O2/c1-2-14-11(12)7-10(13-14)8-3-5-9(6-4-8)15(16)17/h3-7H,2H2,1H3
InChIKeyWXMVKCNSCPECCZ-UHFFFAOYSA-N
XLogP3.13
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 53.13
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

1-ethyl-3-(4-nitrophenyl)pyrazole-5-carbaldehyde
CID 84761305
2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide
CID 82445305
4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82467572
2-[6-(4-nitrophenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile
CID 82446948
4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82446951
2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetonitrile
CID 7665444
[1-ethyl-3-(3-nitrophenyl)pyrazol-5-yl]methanamine
CID 84761582
ethyl 2-(2-amino-2-oxoethyl)-6-(4-nitrophenyl)-3-oxopyridazine-4-carboxylate
CID 100785584
N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 1053631
N-butan-2-yl-1-(2-chlorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3943939
2-ethyl-6-(3-nitrophenyl)-3-oxopyridazine-4-carbonyl chloride
CID 82445285
5-chloro-3-(4-nitrophenyl)-1,2-oxazole
CID 15258968

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole?
The IUPAC name of 5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole (CID 12061634) is 5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole.
What is the SMILES notation for 5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole?
The canonical SMILES for 5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole is CCn1nc(-c2ccc([N+](=O)[O-])cc2)cc1Cl.
What is the InChIKey of 5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole?
The InChIKey is WXMVKCNSCPECCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-2-14-11(12)7-10(13-14)8-3-5-9(6-4-8)15(16)17/h3-7H,2H2,1H3.
What are the key properties of 5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole?
5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole has a molecular weight of 251.67 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole is sourced from PubChem (CID 12061634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).