3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole

C14H21IN4 — CID 82702321

IUPAC3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole
SMILESCCc1nn(Cc2ccn(C(C)C)n2)c(CC)c1I
InChIInChI=1S/C14H21IN4/c1-5-12-14(15)13(6-2)19(17-12)9-11-7-8-18(16-11)10(3)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyZMELEGBCXGVBTE-UHFFFAOYSA-N
MW372.25 g/mol
LogP3.44
Rot. Bonds5

About 3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole

3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole (PubChem CID 82702321) has the molecular formula C14H21IN4 and a molecular weight of 372.25 g/mol. Its IUPAC name is 3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole
PubChem CID82702321
Molecular FormulaC14H21IN4
Molecular Weight372.25 g/mol
Exact Mass372.08
IUPAC Name3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole
SMILESCCc1nn(Cc2ccn(C(C)C)n2)c(CC)c1I
InChIInChI=1S/C14H21IN4/c1-5-12-14(15)13(6-2)19(17-12)9-11-7-8-18(16-11)10(3)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyZMELEGBCXGVBTE-UHFFFAOYSA-N
XLogP3.44
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 ≤ 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

1-[(4-bromophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702243
5-iodo-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridazin-3-one
CID 114553671
3,5-diethyl-4-iodo-1-[(2-methylphenyl)methyl]pyrazole
CID 82703041
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702643
3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole
CID 82703265
methyl 5-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazole-4-carboxylate
CID 103105788
[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine
CID 64773488
2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 115741469
3-[[4-(2-iodophenyl)pyrazol-1-yl]methyl]-1-propan-2-ylpyrazole
CID 79784145
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 64771254
1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622158
3,5-diethyl-1-(3-ethylsulfonylpropyl)-4-iodopyrazole
CID 82702565

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole?
The IUPAC name of 3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole (CID 82702321) is 3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole.
What is the SMILES notation for 3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole?
The canonical SMILES for 3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole is CCc1nn(Cc2ccn(C(C)C)n2)c(CC)c1I.
What is the InChIKey of 3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole?
The InChIKey is ZMELEGBCXGVBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN4/c1-5-12-14(15)13(6-2)19(17-12)9-11-7-8-18(16-11)10(3)4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole?
3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole has a molecular weight of 372.25 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole is sourced from PubChem (CID 82702321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).