1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine

C12H20IN3 — CID 64746819

IUPAC1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine
SMILESCc1nn(C2CCC(C)C(C)C2)c(N)c1I
InChIInChI=1S/C12H20IN3/c1-7-4-5-10(6-8(7)2)16-12(14)11(13)9(3)15-16/h7-8,10H,4-6,14H2,1-3H3
InChIKeyOFEQWAHDHFDYSM-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.38
Rot. Bonds1

About 1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine

1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine (PubChem CID 64746819) has the molecular formula C12H20IN3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine
PubChem CID64746819
Molecular FormulaC12H20IN3
Molecular Weight333.22 g/mol
Exact Mass333.07
IUPAC Name1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine
SMILESCc1nn(C2CCC(C)C(C)C2)c(N)c1I
InChIInChI=1S/C12H20IN3/c1-7-4-5-10(6-8(7)2)16-12(14)11(13)9(3)15-16/h7-8,10H,4-6,14H2,1-3H3
InChIKeyOFEQWAHDHFDYSM-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.38
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 1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine (CID 64746819) is 1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine is Cc1nn(C2CCC(C)C(C)C2)c(N)c1I.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine?
The InChIKey is OFEQWAHDHFDYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3/c1-7-4-5-10(6-8(7)2)16-12(14)11(13)9(3)15-16/h7-8,10H,4-6,14H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine?
1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine has a molecular weight of 333.22 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine is sourced from PubChem (CID 64746819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).