1-cycloheptylpyrazole

C10H16N2 — CID 18705003

IUPAC1-cycloheptylpyrazole
SMILESc1cnn(C2CCCCCC2)c1
InChIInChI=1S/C10H16N2/c1-2-4-7-10(6-3-1)12-9-5-8-11-12/h5,8-10H,1-4,6-7H2
InChIKeyDBMOSJYCLCNUFZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.78
Rot. Bonds1

About 1-cycloheptylpyrazole

1-cycloheptylpyrazole (PubChem CID 18705003) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-cycloheptylpyrazole.

Molecular Properties

Compound Name1-cycloheptylpyrazole
PubChem CID18705003
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-cycloheptylpyrazole
SMILESc1cnn(C2CCCCCC2)c1
InChIInChI=1S/C10H16N2/c1-2-4-7-10(6-3-1)12-9-5-8-11-12/h5,8-10H,1-4,6-7H2
InChIKeyDBMOSJYCLCNUFZ-UHFFFAOYSA-N
XLogP2.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylpyrazole?
The IUPAC name of 1-cycloheptylpyrazole (CID 18705003) is 1-cycloheptylpyrazole.
What is the SMILES notation for 1-cycloheptylpyrazole?
The canonical SMILES for 1-cycloheptylpyrazole is c1cnn(C2CCCCCC2)c1.
What is the InChIKey of 1-cycloheptylpyrazole?
The InChIKey is DBMOSJYCLCNUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-4-7-10(6-3-1)12-9-5-8-11-12/h5,8-10H,1-4,6-7H2.
What are the key properties of 1-cycloheptylpyrazole?
1-cycloheptylpyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylpyrazole is sourced from PubChem (CID 18705003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).