3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole

C14H15IN2O — CID 149409228

IUPAC3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole
SMILESC=C(C)c1cccc(I)c1COc1ccn(C)n1
InChIInChI=1S/C14H15IN2O/c1-10(2)11-5-4-6-13(15)12(11)9-18-14-7-8-17(3)16-14/h4-8H,1,9H2,2-3H3
InChIKeyYQXKTDYWKDBVLL-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.64
Rot. Bonds4

About 3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole

3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole (PubChem CID 149409228) has the molecular formula C14H15IN2O and a molecular weight of 354.19 g/mol. Its IUPAC name is 3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole
PubChem CID149409228
Molecular FormulaC14H15IN2O
Molecular Weight354.19 g/mol
Exact Mass354.02
IUPAC Name3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole
SMILESC=C(C)c1cccc(I)c1COc1ccn(C)n1
InChIInChI=1S/C14H15IN2O/c1-10(2)11-5-4-6-13(15)12(11)9-18-14-7-8-17(3)16-14/h4-8H,1,9H2,2-3H3
InChIKeyYQXKTDYWKDBVLL-UHFFFAOYSA-N
XLogP3.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole 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

ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-prop-1-en-2-ylbenzoate
CID 160994598
3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole
CID 159067473
methyl 3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 158573209
methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 138495699
3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 155217864
propyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-iodobenzoate
CID 126579275
3-bromo-N-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 159230943
3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 161470695
N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 147911483
3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline
CID 153085603
ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159383303
N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 157106420

Frequently Asked Questions

What is the IUPAC name of 3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole?
The IUPAC name of 3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole (CID 149409228) is 3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole.
What is the SMILES notation for 3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole?
The canonical SMILES for 3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole is C=C(C)c1cccc(I)c1COc1ccn(C)n1.
What is the InChIKey of 3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole?
The InChIKey is YQXKTDYWKDBVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O/c1-10(2)11-5-4-6-13(15)12(11)9-18-14-7-8-17(3)16-14/h4-8H,1,9H2,2-3H3.
What are the key properties of 3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole?
3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole has a molecular weight of 354.19 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-iodo-6-prop-1-en-2-ylphenyl)methoxy]-1-methylpyrazole is sourced from PubChem (CID 149409228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).