(2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

C14H15IN2O2 — CID 115810541

IUPAC(2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)c1ccccc1I
InChIInChI=1S/C14H15IN2O2/c1-9(2)17-13(12(19-3)8-16-17)14(18)10-6-4-5-7-11(10)15/h4-9H,1-3H3
InChIKeyMIWVDKSDSNBIQO-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.31
Rot. Bonds4

About (2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

(2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 115810541) has the molecular formula C14H15IN2O2 and a molecular weight of 370.19 g/mol. Its IUPAC name is (2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID115810541
Molecular FormulaC14H15IN2O2
Molecular Weight370.19 g/mol
Exact Mass370.02
IUPAC Name(2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)c1ccccc1I
InChIInChI=1S/C14H15IN2O2/c1-9(2)17-13(12(19-3)8-16-17)14(18)10-6-4-5-7-11(10)15/h4-9H,1-3H3
InChIKeyMIWVDKSDSNBIQO-UHFFFAOYSA-N
XLogP3.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylsulfanylphenyl)methanone
CID 115810480
(2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809643
(2,3-dimethylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810444
(2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 107469171
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640325
(2,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114639995
(4-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640056
(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810393
2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-phenylethanone
CID 114642875
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
CID 114642235
2,2,3,3-tetrafluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 114032582
(3-chloro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810617

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of (2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (CID 115810541) is (2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for (2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for (2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is COc1cnn(C(C)C)c1C(=O)c1ccccc1I.
What is the InChIKey of (2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is MIWVDKSDSNBIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O2/c1-9(2)17-13(12(19-3)8-16-17)14(18)10-6-4-5-7-11(10)15/h4-9H,1-3H3.
What are the key properties of (2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
(2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 370.19 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 115810541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).