(2-iodophenyl)-(1-methylpyrazol-3-yl)methanone

C11H9IN2O — CID 103133832

IUPAC(2-iodophenyl)-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)c2ccccc2I)n1
InChIInChI=1S/C11H9IN2O/c1-14-7-6-10(13-14)11(15)8-4-2-3-5-9(8)12/h2-7H,1H3
InChIKeyMDOGUZUCISANTC-UHFFFAOYSA-N
MW312.11 g/mol
LogP2.26
Rot. Bonds2

About (2-iodophenyl)-(1-methylpyrazol-3-yl)methanone

(2-iodophenyl)-(1-methylpyrazol-3-yl)methanone (PubChem CID 103133832) has the molecular formula C11H9IN2O and a molecular weight of 312.11 g/mol. Its IUPAC name is (2-iodophenyl)-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-iodophenyl)-(1-methylpyrazol-3-yl)methanone
PubChem CID103133832
Molecular FormulaC11H9IN2O
Molecular Weight312.11 g/mol
Exact Mass311.98
IUPAC Name(2-iodophenyl)-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)c2ccccc2I)n1
InChIInChI=1S/C11H9IN2O/c1-14-7-6-10(13-14)11(15)8-4-2-3-5-9(8)12/h2-7H,1H3
InChIKeyMDOGUZUCISANTC-UHFFFAOYSA-N
XLogP2.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone
CID 103133837
(2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133443
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452041
(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195527
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 103133703
(2-amino-5-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103130515
(2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809643
(5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195470
(2-methoxy-5-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195748
(1-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methanone
CID 103130489
1-methylpyrazole-3-carboxamide
CID 13464586

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of (2-iodophenyl)-(1-methylpyrazol-3-yl)methanone (CID 103133832) is (2-iodophenyl)-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-iodophenyl)-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for (2-iodophenyl)-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)c2ccccc2I)n1.
What is the InChIKey of (2-iodophenyl)-(1-methylpyrazol-3-yl)methanone?
The InChIKey is MDOGUZUCISANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O/c1-14-7-6-10(13-14)11(15)8-4-2-3-5-9(8)12/h2-7H,1H3.
What are the key properties of (2-iodophenyl)-(1-methylpyrazol-3-yl)methanone?
(2-iodophenyl)-(1-methylpyrazol-3-yl)methanone has a molecular weight of 312.11 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 103133832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).