1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole

C15H23IN4 — CID 82702643

IUPAC1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole
SMILESCCc1cc(Cn2nc(CC)c(I)c2CC)n(CC)n1
InChIInChI=1S/C15H23IN4/c1-5-11-9-12(19(8-4)17-11)10-20-14(7-3)15(16)13(6-2)18-20/h9H,5-8,10H2,1-4H3
InChIKeyJFSAGLOQAPUWDW-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.44
Rot. Bonds6

About 1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole

1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole (PubChem CID 82702643) has the molecular formula C15H23IN4 and a molecular weight of 386.28 g/mol. Its IUPAC name is 1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole.

Molecular Properties

Compound Name1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole
PubChem CID82702643
Molecular FormulaC15H23IN4
Molecular Weight386.28 g/mol
Exact Mass386.10
IUPAC Name1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole
SMILESCCc1cc(Cn2nc(CC)c(I)c2CC)n(CC)n1
InChIInChI=1S/C15H23IN4/c1-5-11-9-12(19(8-4)17-11)10-20-14(7-3)15(16)13(6-2)18-20/h9H,5-8,10H2,1-4H3
InChIKeyJFSAGLOQAPUWDW-UHFFFAOYSA-N
XLogP3.44
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.44
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

3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole
CID 82703265
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
3,5-diethyl-1-[(4-ethylphenyl)methyl]-4-iodopyrazole
CID 82702248
1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine
CID 79542040
1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702883
1-[(4-bromophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702243
1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82934614
3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole
CID 82702321
3,5-diethyl-4-iodo-1-[(2-methylphenyl)methyl]pyrazole
CID 82703041
1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone
CID 82699587
1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine
CID 79542077
(1-ethyl-3-iodopyrazol-5-yl)methanamine
CID 154881848

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole?
The IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole (CID 82702643) is 1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole.
What is the SMILES notation for 1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole?
The canonical SMILES for 1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole is CCc1cc(Cn2nc(CC)c(I)c2CC)n(CC)n1.
What is the InChIKey of 1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole?
The InChIKey is JFSAGLOQAPUWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN4/c1-5-11-9-12(19(8-4)17-11)10-20-14(7-3)15(16)13(6-2)18-20/h9H,5-8,10H2,1-4H3.
What are the key properties of 1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole?
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole has a molecular weight of 386.28 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole is sourced from PubChem (CID 82702643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).