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

C10H13F3IN3 — CID 64758621

IUPAC4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESNc1c(I)cnn1C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H13F3IN3/c11-10(12,13)6-2-1-3-7(4-6)17-9(15)8(14)5-16-17/h5-7H,1-4,15H2
InChIKeySQABHOPMLDRBDI-UHFFFAOYSA-N
MW359.13 g/mol
LogP3.36
Rot. Bonds1

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

4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (PubChem CID 64758621) has the molecular formula C10H13F3IN3 and a molecular weight of 359.13 g/mol. Its IUPAC name is 4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
PubChem CID64758621
Molecular FormulaC10H13F3IN3
Molecular Weight359.13 g/mol
Exact Mass359.01
IUPAC Name4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESNc1c(I)cnn1C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H13F3IN3/c11-10(12,13)6-2-1-3-7(4-6)17-9(15)8(14)5-16-17/h5-7H,1-4,15H2
InChIKeySQABHOPMLDRBDI-UHFFFAOYSA-N
XLogP3.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.13
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazol-5-amine
CID 64754280
5-Amino-1-(4,4-difluorocyclohexyl)-1h-pyrazole-4-carbonitrile
CID 58416683
1-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazol-5-amine
CID 64754078
4-Methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754079
4-Chloro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754279
4-Iodo-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754480
2-[3-(Trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 64758208
4-Methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758209
4-Chloro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758415
4-Bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758416
4-Methyl-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
CID 116535090
4-Iodo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
CID 116535094

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The IUPAC name of 4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (CID 64758621) is 4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.
What is the SMILES notation for 4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The canonical SMILES for 4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is Nc1c(I)cnn1C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The InChIKey is SQABHOPMLDRBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3IN3/c11-10(12,13)6-2-1-3-7(4-6)17-9(15)8(14)5-16-17/h5-7H,1-4,15H2.
What are the key properties of 4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine has a molecular weight of 359.13 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is sourced from PubChem (CID 64758621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).