4-chloro-1-iodo-5-methylpyrazol-3-amine

C4H5ClIN3 — CID 70974319

IUPAC4-chloro-1-iodo-5-methylpyrazol-3-amine
SMILESCc1c(Cl)c(N)nn1I
InChIInChI=1S/C4H5ClIN3/c1-2-3(5)4(7)8-9(2)6/h1H3,(H2,7,8)
InChIKeyALBRPPFZQPMXBM-UHFFFAOYSA-N
MW257.46 g/mol
LogP1.63
Rot. Bonds

About 4-chloro-1-iodo-5-methylpyrazol-3-amine

4-chloro-1-iodo-5-methylpyrazol-3-amine (PubChem CID 70974319) has the molecular formula C4H5ClIN3 and a molecular weight of 257.46 g/mol. Its IUPAC name is 4-chloro-1-iodo-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-iodo-5-methylpyrazol-3-amine
PubChem CID70974319
Molecular FormulaC4H5ClIN3
Molecular Weight257.46 g/mol
Exact Mass256.92
IUPAC Name4-chloro-1-iodo-5-methylpyrazol-3-amine
SMILESCc1c(Cl)c(N)nn1I
InChIInChI=1S/C4H5ClIN3/c1-2-3(5)4(7)8-9(2)6/h1H3,(H2,7,8)
InChIKeyALBRPPFZQPMXBM-UHFFFAOYSA-N
XLogP1.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-iodo-5-methylpyrazol-3-amine?
The IUPAC name of 4-chloro-1-iodo-5-methylpyrazol-3-amine (CID 70974319) is 4-chloro-1-iodo-5-methylpyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-iodo-5-methylpyrazol-3-amine?
The canonical SMILES for 4-chloro-1-iodo-5-methylpyrazol-3-amine is Cc1c(Cl)c(N)nn1I.
What is the InChIKey of 4-chloro-1-iodo-5-methylpyrazol-3-amine?
The InChIKey is ALBRPPFZQPMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClIN3/c1-2-3(5)4(7)8-9(2)6/h1H3,(H2,7,8).
What are the key properties of 4-chloro-1-iodo-5-methylpyrazol-3-amine?
4-chloro-1-iodo-5-methylpyrazol-3-amine has a molecular weight of 257.46 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-iodo-5-methylpyrazol-3-amine is sourced from PubChem (CID 70974319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).