5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole

C13H21ClN2 — CID 66023049

IUPAC5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole
SMILESCCc1c(C)nn(C2CCCCCC2)c1Cl
InChIInChI=1S/C13H21ClN2/c1-3-12-10(2)15-16(13(12)14)11-8-6-4-5-7-9-11/h11H,3-9H2,1-2H3
InChIKeyHJAWJZQUDHPBRG-UHFFFAOYSA-N
MW240.78 g/mol
LogP4.30
Rot. Bonds2

About 5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole

5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole (PubChem CID 66023049) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole
PubChem CID66023049
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole
SMILESCCc1c(C)nn(C2CCCCCC2)c1Cl
InChIInChI=1S/C13H21ClN2/c1-3-12-10(2)15-16(13(12)14)11-8-6-4-5-7-9-11/h11H,3-9H2,1-2H3
InChIKeyHJAWJZQUDHPBRG-UHFFFAOYSA-N
XLogP4.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole?
The IUPAC name of 5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole (CID 66023049) is 5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole.
What is the SMILES notation for 5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole?
The canonical SMILES for 5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole is CCc1c(C)nn(C2CCCCCC2)c1Cl.
What is the InChIKey of 5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole?
The InChIKey is HJAWJZQUDHPBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-3-12-10(2)15-16(13(12)14)11-8-6-4-5-7-9-11/h11H,3-9H2,1-2H3.
What are the key properties of 5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole?
5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole has a molecular weight of 240.78 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole is sourced from PubChem (CID 66023049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).