4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine

C11H15F3IN3 — CID 64758829

IUPAC4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESCc1nn(C2CCCC(C(F)(F)F)C2)c(N)c1I
InChIInChI=1S/C11H15F3IN3/c1-6-9(15)10(16)18(17-6)8-4-2-3-7(5-8)11(12,13)14/h7-8H,2-5,16H2,1H3
InChIKeyIPSZCWRQLNVECX-UHFFFAOYSA-N
MW373.16 g/mol
LogP3.67
Rot. Bonds1

About 4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine

4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (PubChem CID 64758829) has the molecular formula C11H15F3IN3 and a molecular weight of 373.16 g/mol. Its IUPAC name is 4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
PubChem CID64758829
Molecular FormulaC11H15F3IN3
Molecular Weight373.16 g/mol
Exact Mass373.03
IUPAC Name4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESCc1nn(C2CCCC(C(F)(F)F)C2)c(N)c1I
InChIInChI=1S/C11H15F3IN3/c1-6-9(15)10(16)18(17-6)8-4-2-3-7(5-8)11(12,13)14/h7-8H,2-5,16H2,1H3
InChIKeyIPSZCWRQLNVECX-UHFFFAOYSA-N
XLogP3.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.16
LogP ≤ 53.67
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-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The IUPAC name of 4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (CID 64758829) is 4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.
What is the SMILES notation for 4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The canonical SMILES for 4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is Cc1nn(C2CCCC(C(F)(F)F)C2)c(N)c1I.
What is the InChIKey of 4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The InChIKey is IPSZCWRQLNVECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3IN3/c1-6-9(15)10(16)18(17-6)8-4-2-3-7(5-8)11(12,13)14/h7-8H,2-5,16H2,1H3.
What are the key properties of 4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine has a molecular weight of 373.16 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is sourced from PubChem (CID 64758829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).