4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole

C11H16ClIN2 — CID 79785631

IUPAC4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole
SMILESCCC1CCCC(n2cc(Cl)c(I)n2)C1
InChIInChI=1S/C11H16ClIN2/c1-2-8-4-3-5-9(6-8)15-7-10(12)11(13)14-15/h7-9H,2-6H2,1H3
InChIKeyROKSKFSJNMGRBB-UHFFFAOYSA-N
MW338.62 g/mol
LogP4.28
Rot. Bonds2

About 4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole

4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole (PubChem CID 79785631) has the molecular formula C11H16ClIN2 and a molecular weight of 338.62 g/mol. Its IUPAC name is 4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole.

Molecular Properties

Compound Name4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole
PubChem CID79785631
Molecular FormulaC11H16ClIN2
Molecular Weight338.62 g/mol
Exact Mass338.00
IUPAC Name4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole
SMILESCCC1CCCC(n2cc(Cl)c(I)n2)C1
InChIInChI=1S/C11H16ClIN2/c1-2-8-4-3-5-9(6-8)15-7-10(12)11(13)14-15/h7-9H,2-6H2,1H3
InChIKeyROKSKFSJNMGRBB-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.62
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-cyclopropyl-3-iodopyrazole
CID 175535161
1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine
CID 114420063
1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole
CID 64743596
(1S)-1-[3-(3-ethylcyclohexyl)imidazol-4-yl]ethanamine
CID 104943270
1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106574917
N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150176
9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64742631
1-cyclopentyl-3-iodopyrazole-4-carbaldehyde
CID 146680336
5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole
CID 64743405
3-[3-(3-ethylcyclohexyl)imidazol-4-yl]pyridin-4-amine
CID 114720875
5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole
CID 103084562
1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine
CID 79543288

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole?
The IUPAC name of 4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole (CID 79785631) is 4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole.
What is the SMILES notation for 4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole?
The canonical SMILES for 4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole is CCC1CCCC(n2cc(Cl)c(I)n2)C1.
What is the InChIKey of 4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole?
The InChIKey is ROKSKFSJNMGRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClIN2/c1-2-8-4-3-5-9(6-8)15-7-10(12)11(13)14-15/h7-9H,2-6H2,1H3.
What are the key properties of 4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole?
4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole has a molecular weight of 338.62 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-ethylcyclohexyl)-3-iodopyrazole is sourced from PubChem (CID 79785631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).