4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole

C14H12I2N4 — CID 71494213

IUPAC4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole
SMILESIc1cnn(Cc2ccc(Cn3cc(I)cn3)cc2)c1
InChIInChI=1S/C14H12I2N4/c15-13-5-17-19(9-13)7-11-1-2-12(4-3-11)8-20-10-14(16)6-18-20/h1-6,9-10H,7-8H2
InChIKeyATWUALBOBAODMZ-UHFFFAOYSA-N
MW490.09 g/mol
LogP3.39
Rot. Bonds4

About 4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole

4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole (PubChem CID 71494213) has the molecular formula C14H12I2N4 and a molecular weight of 490.09 g/mol. Its IUPAC name is 4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole.

Molecular Properties

Compound Name4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole
PubChem CID71494213
Molecular FormulaC14H12I2N4
Molecular Weight490.09 g/mol
Exact Mass489.92
IUPAC Name4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole
SMILESIc1cnn(Cc2ccc(Cn3cc(I)cn3)cc2)c1
InChIInChI=1S/C14H12I2N4/c15-13-5-17-19(9-13)7-11-1-2-12(4-3-11)8-20-10-14(16)6-18-20/h1-6,9-10H,7-8H2
InChIKeyATWUALBOBAODMZ-UHFFFAOYSA-N
XLogP3.39
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.09
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole?
The IUPAC name of 4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole (CID 71494213) is 4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole.
What is the SMILES notation for 4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole?
The canonical SMILES for 4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole is Ic1cnn(Cc2ccc(Cn3cc(I)cn3)cc2)c1.
What is the InChIKey of 4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole?
The InChIKey is ATWUALBOBAODMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12I2N4/c15-13-5-17-19(9-13)7-11-1-2-12(4-3-11)8-20-10-14(16)6-18-20/h1-6,9-10H,7-8H2.
What are the key properties of 4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole?
4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole has a molecular weight of 490.09 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-[[4-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]pyrazole is sourced from PubChem (CID 71494213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).