(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol

C17H18FIN4O — CID 164718888

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
SMILESCCc1cc(C(O)c2cc(C)nn2-c2ccc(F)cc2I)n(C)n1
InChIInChI=1S/C17H18FIN4O/c1-4-12-9-15(22(3)21-12)17(24)16-7-10(2)20-23(16)14-6-5-11(18)8-13(14)19/h5-9,17,24H,4H2,1-3H3
InChIKeyJFWZCRNVROPUPG-UHFFFAOYSA-N
MW440.26 g/mol
LogP3.30
Rot. Bonds4

About (3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol

(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol (PubChem CID 164718888) has the molecular formula C17H18FIN4O and a molecular weight of 440.26 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
PubChem CID164718888
Molecular FormulaC17H18FIN4O
Molecular Weight440.26 g/mol
Exact Mass440.05
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
SMILESCCc1cc(C(O)c2cc(C)nn2-c2ccc(F)cc2I)n(C)n1
InChIInChI=1S/C17H18FIN4O/c1-4-12-9-15(22(3)21-12)17(24)16-7-10(2)20-23(16)14-6-5-11(18)8-13(14)19/h5-9,17,24H,4H2,1-3H3
InChIKeyJFWZCRNVROPUPG-UHFFFAOYSA-N
XLogP3.30
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-Fluorophenyl)-5-methylpyrazol-3-yl]methanol
CID 69410612
[1-(2,2-Difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
CID 164718608
[1-(Cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
CID 164718623
(4-Bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
CID 164718769
(Z)-3-amino-2-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]-hydroxymethyl]prop-2-enimidoyl chloride
CID 164718790
(1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
CID 164718834
(3-Chloro-1-ethylpyrazol-4-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
CID 164718846
5-[[2-[4-Fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile
CID 164718925
[1-(Cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
CID 164719046
[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol
CID 164719254
[2-(4-Fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
CID 164719380
(1-Ethylpyrazol-4-yl)-[2-[4-fluoro-2-(hydroxymethyl)phenyl]-5-methylpyrazol-3-yl]methanol
CID 164719401

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol (CID 164718888) is (3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol is CCc1cc(C(O)c2cc(C)nn2-c2ccc(F)cc2I)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The InChIKey is JFWZCRNVROPUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FIN4O/c1-4-12-9-15(22(3)21-12)17(24)16-7-10(2)20-23(16)14-6-5-11(18)8-13(14)19/h5-9,17,24H,4H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol has a molecular weight of 440.26 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 164718888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).