[4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane

C14H20IN2O2P — CID 153348602

IUPAC[4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane
SMILESCC.COc1cc(-c2cnn(PI)c2)cc(OC)c1C
InChIInChI=1S/C12H14IN2O2P.C2H6/c1-8-11(16-2)4-9(5-12(8)17-3)10-6-14-15(7-10)18-13;1-2/h4-7,18H,1-3H3;1-2H3
InChIKeyRUBMIMBWYDMEMQ-UHFFFAOYSA-N
MW406.20 g/mol
LogP4.69
Rot. Bonds4

About [4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane

[4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane (PubChem CID 153348602) has the molecular formula C14H20IN2O2P and a molecular weight of 406.20 g/mol. Its IUPAC name is [4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane.

Molecular Properties

Compound Name[4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane
PubChem CID153348602
Molecular FormulaC14H20IN2O2P
Molecular Weight406.20 g/mol
Exact Mass406.03
IUPAC Name[4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane
SMILESCC.COc1cc(-c2cnn(PI)c2)cc(OC)c1C
InChIInChI=1S/C12H14IN2O2P.C2H6/c1-8-11(16-2)4-9(5-12(8)17-3)10-6-14-15(7-10)18-13;1-2/h4-7,18H,1-3H3;1-2H3
InChIKeyRUBMIMBWYDMEMQ-UHFFFAOYSA-N
XLogP4.69
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.20
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1-iodophosphanylpyrazol-4-yl)-2-methylbenzene-1,3-diol
CID 153348657
4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
[4-(7-chloro-2-methyl-1-benzothiophen-4-yl)pyrazol-1-yl]-iodophosphane
CID 156845568
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol
CID 162125121
(3,5-dimethoxy-4-methylphenyl)-trimethoxysilane
CID 59566599
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
CID 94267593
4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 177321527
2-methoxy-5-(1-methylpyrazol-4-yl)benzenethiol
CID 174151969
5-tert-butyl-1,3-dimethoxy-2-methylbenzene
CID 59572485
4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole
CID 170591109
ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate
CID 139561792

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane?
The IUPAC name of [4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane (CID 153348602) is [4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane.
What is the SMILES notation for [4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane?
The canonical SMILES for [4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane is CC.COc1cc(-c2cnn(PI)c2)cc(OC)c1C.
What is the InChIKey of [4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane?
The InChIKey is RUBMIMBWYDMEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN2O2P.C2H6/c1-8-11(16-2)4-9(5-12(8)17-3)10-6-14-15(7-10)18-13;1-2/h4-7,18H,1-3H3;1-2H3.
What are the key properties of [4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane?
[4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane has a molecular weight of 406.20 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxy-4-methylphenyl)pyrazol-1-yl]-iodophosphane;ethane is sourced from PubChem (CID 153348602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).