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

C14H21IN4 — CID 82703265

IUPAC3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole
SMILESCCc1cc(Cn2nc(CC)c(I)c2CC)n(C)n1
InChIInChI=1S/C14H21IN4/c1-5-10-8-11(18(4)16-10)9-19-13(7-3)14(15)12(6-2)17-19/h8H,5-7,9H2,1-4H3
InChIKeyAVLWHSPSQYYQNM-UHFFFAOYSA-N
MW372.25 g/mol
LogP2.96
Rot. Bonds5

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

3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole (PubChem CID 82703265) has the molecular formula C14H21IN4 and a molecular weight of 372.25 g/mol. Its IUPAC name is 3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole.

Molecular Properties

Compound Name3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole
PubChem CID82703265
Molecular FormulaC14H21IN4
Molecular Weight372.25 g/mol
Exact Mass372.08
IUPAC Name3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole
SMILESCCc1cc(Cn2nc(CC)c(I)c2CC)n(C)n1
InChIInChI=1S/C14H21IN4/c1-5-10-8-11(18(4)16-10)9-19-13(7-3)14(15)12(6-2)17-19/h8H,5-7,9H2,1-4H3
InChIKeyAVLWHSPSQYYQNM-UHFFFAOYSA-N
XLogP2.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 52.96
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-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702643
3,5-diethyl-1-[(4-ethylphenyl)methyl]-4-iodopyrazole
CID 82702248
1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702883
1-[(4-bromophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702243
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one
CID 116626760
3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole
CID 82702321
1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82934614
3,5-diethyl-4-iodo-1-[(2-methylphenyl)methyl]pyrazole
CID 82703041
5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103220996
3,5-diethyl-1-(3-ethylsulfonylpropyl)-4-iodopyrazole
CID 82702565
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220089
1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702486

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole?
The IUPAC name of 3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole (CID 82703265) is 3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole.
What is the SMILES notation for 3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole?
The canonical SMILES for 3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole is CCc1cc(Cn2nc(CC)c(I)c2CC)n(C)n1.
What is the InChIKey of 3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole?
The InChIKey is AVLWHSPSQYYQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN4/c1-5-10-8-11(18(4)16-10)9-19-13(7-3)14(15)12(6-2)17-19/h8H,5-7,9H2,1-4H3.
What are the key properties of 3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole?
3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole has a molecular weight of 372.25 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole is sourced from PubChem (CID 82703265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).