[1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine

C13H16ClIN4 — CID 103217868

IUPAC[1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
SMILESCn1nccc1CCC(NN)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN4/c1-19-10(6-7-17-19)3-5-13(18-16)9-2-4-12(15)11(14)8-9/h2,4,6-8,13,18H,3,5,16H2,1H3
InChIKeyZCKVPQAENOWFOW-UHFFFAOYSA-N
MW390.66 g/mol
LogP2.82
Rot. Bonds5

About [1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine

[1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine (PubChem CID 103217868) has the molecular formula C13H16ClIN4 and a molecular weight of 390.66 g/mol. Its IUPAC name is [1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
PubChem CID103217868
Molecular FormulaC13H16ClIN4
Molecular Weight390.66 g/mol
Exact Mass390.01
IUPAC Name[1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
SMILESCn1nccc1CCC(NN)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN4/c1-19-10(6-7-17-19)3-5-13(18-16)9-2-4-12(15)11(14)8-9/h2,4,6-8,13,18H,3,5,16H2,1H3
InChIKeyZCKVPQAENOWFOW-UHFFFAOYSA-N
XLogP2.82
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 52.82
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-(3-bromo-4-methoxyphenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026148
[1-(3-chloro-4-iodophenyl)-4-methylpentyl]hydrazine
CID 103217356
1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030404
1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030397
[1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 107948596
[1-(4-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026739
[2-(4-bromophenyl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine
CID 103217259
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009150
[1-(3-chloro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340350
1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005996
[1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026121
[1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103026695

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
The IUPAC name of [1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine (CID 103217868) is [1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine is Cn1nccc1CCC(NN)c1ccc(I)c(Cl)c1.
What is the InChIKey of [1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
The InChIKey is ZCKVPQAENOWFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN4/c1-19-10(6-7-17-19)3-5-13(18-16)9-2-4-12(15)11(14)8-9/h2,4,6-8,13,18H,3,5,16H2,1H3.
What are the key properties of [1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
[1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine has a molecular weight of 390.66 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine is sourced from PubChem (CID 103217868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).