5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine

C10H18IN3 — CID 65255899

IUPAC5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCn1cc(I)cn1
InChIInChI=1S/C10H18IN3/c1-10(2,8-12)4-3-5-14-7-9(11)6-13-14/h6-7H,3-5,8,12H2,1-2H3
InChIKeyGUUYNYODIUKSCL-UHFFFAOYSA-N
MW307.18 g/mol
LogP2.25
Rot. Bonds5

About 5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine

5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine (PubChem CID 65255899) has the molecular formula C10H18IN3 and a molecular weight of 307.18 g/mol. Its IUPAC name is 5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine
PubChem CID65255899
Molecular FormulaC10H18IN3
Molecular Weight307.18 g/mol
Exact Mass307.05
IUPAC Name5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCn1cc(I)cn1
InChIInChI=1S/C10H18IN3/c1-10(2,8-12)4-3-5-14-7-9(11)6-13-14/h6-7H,3-5,8,12H2,1-2H3
InChIKeyGUUYNYODIUKSCL-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 52.25
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 5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine (CID 65255899) is 5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine is CC(C)(CN)CCCn1cc(I)cn1.
What is the InChIKey of 5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine?
The InChIKey is GUUYNYODIUKSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18IN3/c1-10(2,8-12)4-3-5-14-7-9(11)6-13-14/h6-7H,3-5,8,12H2,1-2H3.
What are the key properties of 5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine?
5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine has a molecular weight of 307.18 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65255899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).