3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole

C10H8ClN3O3 — CID 166540212

IUPAC3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole
SMILESCn1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)n1
InChIInChI=1S/C10H8ClN3O3/c1-13-5-4-10(12-13)17-9-3-2-7(14(15)16)6-8(9)11/h2-6H,1H3
InChIKeyUNNFVJCSDDLZDG-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.77
Rot. Bonds3

About 3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole

3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole (PubChem CID 166540212) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole.

Molecular Properties

Compound Name3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole
PubChem CID166540212
Molecular FormulaC10H8ClN3O3
Molecular Weight253.65 g/mol
Exact Mass253.03
IUPAC Name3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole
SMILESCn1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)n1
InChIInChI=1S/C10H8ClN3O3/c1-13-5-4-10(12-13)17-9-3-2-7(14(15)16)6-8(9)11/h2-6H,1H3
InChIKeyUNNFVJCSDDLZDG-UHFFFAOYSA-N
XLogP2.77
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
CID 114049044
2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine
CID 63963412
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
6-(2-chloro-4-nitrophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 80878741
5-(2-chloro-4-nitrophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid
CID 61031664
4-(2-chloro-4-nitrophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80871357
2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 114766888
(2-chloro-4-nitrophenyl) acetate
CID 14345185
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
N-[4-[[1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19272676

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole?
The IUPAC name of 3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole (CID 166540212) is 3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole.
What is the SMILES notation for 3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole?
The canonical SMILES for 3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole is Cn1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)n1.
What is the InChIKey of 3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole?
The InChIKey is UNNFVJCSDDLZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c1-13-5-4-10(12-13)17-9-3-2-7(14(15)16)6-8(9)11/h2-6H,1H3.
What are the key properties of 3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole?
3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole has a molecular weight of 253.65 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole is sourced from PubChem (CID 166540212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).