(5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

C12H10ClIN2O2 — CID 114029983

IUPAC(5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C12H10ClIN2O2/c1-16-11(10(18-2)6-15-16)12(17)8-5-7(13)3-4-9(8)14/h3-6H,1-2H3
InChIKeyHKIRDGFXZAVYEJ-UHFFFAOYSA-N
MW376.58 g/mol
LogP2.92
Rot. Bonds3

About (5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

(5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (PubChem CID 114029983) has the molecular formula C12H10ClIN2O2 and a molecular weight of 376.58 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
PubChem CID114029983
Molecular FormulaC12H10ClIN2O2
Molecular Weight376.58 g/mol
Exact Mass375.95
IUPAC Name(5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C12H10ClIN2O2/c1-16-11(10(18-2)6-15-16)12(17)8-5-7(13)3-4-9(8)14/h3-6H,1-2H3
InChIKeyHKIRDGFXZAVYEJ-UHFFFAOYSA-N
XLogP2.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809643
(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132801
(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810197
(4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107996750
(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107944797
(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810975
(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809747
(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132806
(4-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640056
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070
(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114668105

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (CID 114029983) is (5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is COc1cnn(C)c1C(=O)c1cc(Cl)ccc1I.
What is the InChIKey of (5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The InChIKey is HKIRDGFXZAVYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2O2/c1-16-11(10(18-2)6-15-16)12(17)8-5-7(13)3-4-9(8)14/h3-6H,1-2H3.
What are the key properties of (5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
(5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone has a molecular weight of 376.58 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 114029983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).