4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine

C10H10IN3 — CID 3812694

IUPAC4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccccc1-c1[nH]nc(N)c1I
InChIInChI=1S/C10H10IN3/c1-6-4-2-3-5-7(6)9-8(11)10(12)14-13-9/h2-5H,1H3,(H3,12,13,14)
InChIKeyCVPXNWPVADHVNE-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.57
Rot. Bonds1

About 4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine

4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 3812694) has the molecular formula C10H10IN3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine
PubChem CID3812694
Molecular FormulaC10H10IN3
Molecular Weight299.12 g/mol
Exact Mass298.99
IUPAC Name4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccccc1-c1[nH]nc(N)c1I
InChIInChI=1S/C10H10IN3/c1-6-4-2-3-5-7(6)9-8(11)10(12)14-13-9/h2-5H,1H3,(H3,12,13,14)
InChIKeyCVPXNWPVADHVNE-UHFFFAOYSA-N
XLogP2.57
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine (CID 3812694) is 4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine is Cc1ccccc1-c1[nH]nc(N)c1I.
What is the InChIKey of 4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is CVPXNWPVADHVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3/c1-6-4-2-3-5-7(6)9-8(11)10(12)14-13-9/h2-5H,1H3,(H3,12,13,14).
What are the key properties of 4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine?
4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 299.12 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 3812694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).