1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole

C11H15IN4 — CID 79785136

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole
SMILESCc1cc(Cn2nc(C)c(I)c2C)n(C)n1
InChIInChI=1S/C11H15IN4/c1-7-5-10(15(4)13-7)6-16-9(3)11(12)8(2)14-16/h5H,6H2,1-4H3
InChIKeyFUSSYGKSLKEHLY-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.19
Rot. Bonds2

About 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole

1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole (PubChem CID 79785136) has the molecular formula C11H15IN4 and a molecular weight of 330.17 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole
PubChem CID79785136
Molecular FormulaC11H15IN4
Molecular Weight330.17 g/mol
Exact Mass330.03
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole
SMILESCc1cc(Cn2nc(C)c(I)c2C)n(C)n1
InChIInChI=1S/C11H15IN4/c1-7-5-10(15(4)13-7)6-16-9(3)11(12)8(2)14-16/h5H,6H2,1-4H3
InChIKeyFUSSYGKSLKEHLY-UHFFFAOYSA-N
XLogP2.19
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.19
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

1-[(3,5-difluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 105411276
1-ethyl-4-iodo-3,5-dimethylpyrazole
CID 51063680
1-[(4-bromophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784286
1-[(4-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784476
5-(chloromethyl)-1,3-dimethylpyrazole
CID 4961270
1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 103051638
1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine
CID 79542639
(3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79419332
4-iodo-3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 79785518
1-[(3-bromo-4-methoxyphenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784664
2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine
CID 66404025
N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
CID 24844187

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole (CID 79785136) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole is Cc1cc(Cn2nc(C)c(I)c2C)n(C)n1.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole?
The InChIKey is FUSSYGKSLKEHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4/c1-7-5-10(15(4)13-7)6-16-9(3)11(12)8(2)14-16/h5H,6H2,1-4H3.
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole has a molecular weight of 330.17 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole is sourced from PubChem (CID 79785136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).