1-(2-chloro-4-iodophenyl)pyrazol-3-amine

C9H7ClIN3 — CID 107608588

IUPAC1-(2-chloro-4-iodophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2ccc(I)cc2Cl)n1
InChIInChI=1S/C9H7ClIN3/c10-7-5-6(11)1-2-8(7)14-4-3-9(12)13-14/h1-5H,(H2,12,13)
InChIKeyUISJKCXSMCELGG-UHFFFAOYSA-N
MW319.53 g/mol
LogP2.71
Rot. Bonds1

About 1-(2-chloro-4-iodophenyl)pyrazol-3-amine

1-(2-chloro-4-iodophenyl)pyrazol-3-amine (PubChem CID 107608588) has the molecular formula C9H7ClIN3 and a molecular weight of 319.53 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)pyrazol-3-amine
PubChem CID107608588
Molecular FormulaC9H7ClIN3
Molecular Weight319.53 g/mol
Exact Mass318.94
IUPAC Name1-(2-chloro-4-iodophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2ccc(I)cc2Cl)n1
InChIInChI=1S/C9H7ClIN3/c10-7-5-6(11)1-2-8(7)14-4-3-9(12)13-14/h1-5H,(H2,12,13)
InChIKeyUISJKCXSMCELGG-UHFFFAOYSA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 102942871
1-(4-fluoro-2-iodophenyl)pyrazol-3-amine
CID 102942946
1-(5-bromo-2-chlorophenyl)pyrazol-3-amine
CID 102942859
1-(2,3-dichlorophenyl)pyrazol-3-amine
CID 70210404
[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine
CID 107608533
1-(3-bromo-4-chlorophenyl)pyrazol-3-amine
CID 102942955
1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid
CID 125461571
1-(2-chloro-5-iodophenyl)triazol-4-amine
CID 130499667
1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine
CID 130588403
1-(2,5-dimethylphenyl)pyrazol-3-amine
CID 62677926
1-(2-chloro-4-pyridinyl)pyrazol-3-amine
CID 134589171
2-[1-(2-chloro-4-iodophenyl)triazol-4-yl]ethanamine
CID 107607856

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)pyrazol-3-amine?
The IUPAC name of 1-(2-chloro-4-iodophenyl)pyrazol-3-amine (CID 107608588) is 1-(2-chloro-4-iodophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)pyrazol-3-amine?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)pyrazol-3-amine is Nc1ccn(-c2ccc(I)cc2Cl)n1.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)pyrazol-3-amine?
The InChIKey is UISJKCXSMCELGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClIN3/c10-7-5-6(11)1-2-8(7)14-4-3-9(12)13-14/h1-5H,(H2,12,13).
What are the key properties of 1-(2-chloro-4-iodophenyl)pyrazol-3-amine?
1-(2-chloro-4-iodophenyl)pyrazol-3-amine has a molecular weight of 319.53 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)pyrazol-3-amine is sourced from PubChem (CID 107608588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).