[1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine

C16H23IN4 — CID 105310364

IUPAC[1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
SMILESCc1nn(C)c(C)c1CCC(Cc1ccc(I)cc1)NN
InChIInChI=1S/C16H23IN4/c1-11-16(12(2)21(3)20-11)9-8-15(19-18)10-13-4-6-14(17)7-5-13/h4-7,15,19H,8-10,18H2,1-3H3
InChIKeySPYBMRGXXGPFIS-UHFFFAOYSA-N
MW398.29 g/mol
LogP2.65
Rot. Bonds6

About [1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine

[1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine (PubChem CID 105310364) has the molecular formula C16H23IN4 and a molecular weight of 398.29 g/mol. Its IUPAC name is [1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
PubChem CID105310364
Molecular FormulaC16H23IN4
Molecular Weight398.29 g/mol
Exact Mass398.10
IUPAC Name[1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
SMILESCc1nn(C)c(C)c1CCC(Cc1ccc(I)cc1)NN
InChIInChI=1S/C16H23IN4/c1-11-16(12(2)21(3)20-11)9-8-15(19-18)10-13-4-6-14(17)7-5-13/h4-7,15,19H,8-10,18H2,1-3H3
InChIKeySPYBMRGXXGPFIS-UHFFFAOYSA-N
XLogP2.65
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-ylhydrazine
CID 105281932
[1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105296462
[1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105334822
1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
CID 105293836
1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105088724
1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105089316
1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105077459
2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105101093
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105158616
[1-(furan-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105305907
1-(4-chlorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105085290
[1-(4-fluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105302658

Frequently Asked Questions

What is the IUPAC name of [1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine (CID 105310364) is [1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine is Cc1nn(C)c(C)c1CCC(Cc1ccc(I)cc1)NN.
What is the InChIKey of [1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine?
The InChIKey is SPYBMRGXXGPFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN4/c1-11-16(12(2)21(3)20-11)9-8-15(19-18)10-13-4-6-14(17)7-5-13/h4-7,15,19H,8-10,18H2,1-3H3.
What are the key properties of [1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine?
[1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine has a molecular weight of 398.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105310364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).