5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine

C10H9ClIN3 — CID 3613182

IUPAC5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2I)ccc1Cl
InChIInChI=1S/C10H9ClIN3/c1-5-4-6(2-3-7(5)11)9-8(12)10(13)15-14-9/h2-4H,1H3,(H3,13,14,15)
InChIKeyLJBQLMOWAYACKN-UHFFFAOYSA-N
MW333.56 g/mol
LogP3.23
Rot. Bonds1

About 5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine

5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine (PubChem CID 3613182) has the molecular formula C10H9ClIN3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
PubChem CID3613182
Molecular FormulaC10H9ClIN3
Molecular Weight333.56 g/mol
Exact Mass332.95
IUPAC Name5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2I)ccc1Cl
InChIInChI=1S/C10H9ClIN3/c1-5-4-6(2-3-7(5)11)9-8(12)10(13)15-14-9/h2-4H,1H3,(H3,13,14,15)
InChIKeyLJBQLMOWAYACKN-UHFFFAOYSA-N
XLogP3.23
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 3755108
4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3705848
4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 63525572
5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine
CID 107988567
4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine
CID 3812694
5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 4203083
5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3570755
5-(4-benzylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3766427
4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
CID 4556095
3-amino-5-(4-fluoro-3-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 82360197
4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210614
4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210316

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine (CID 3613182) is 5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2I)ccc1Cl.
What is the InChIKey of 5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine?
The InChIKey is LJBQLMOWAYACKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN3/c1-5-4-6(2-3-7(5)11)9-8(12)10(13)15-14-9/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine?
5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine has a molecular weight of 333.56 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine is sourced from PubChem (CID 3613182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).