1-[1-(nitrosomethyl)cycloheptyl]pyrazole

C11H17N3O — CID 54103536

IUPAC1-[1-(nitrosomethyl)cycloheptyl]pyrazole
SMILESO=NCC1(n2cccn2)CCCCCC1
InChIInChI=1S/C11H17N3O/c15-13-10-11(14-9-5-8-12-14)6-3-1-2-4-7-11/h5,8-9H,1-4,6-7,10H2
InChIKeyNCEATKHYKPDDPT-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.70
Rot. Bonds3

About 1-[1-(nitrosomethyl)cycloheptyl]pyrazole

1-[1-(nitrosomethyl)cycloheptyl]pyrazole (PubChem CID 54103536) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[1-(nitrosomethyl)cycloheptyl]pyrazole.

Molecular Properties

Compound Name1-[1-(nitrosomethyl)cycloheptyl]pyrazole
PubChem CID54103536
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[1-(nitrosomethyl)cycloheptyl]pyrazole
SMILESO=NCC1(n2cccn2)CCCCCC1
InChIInChI=1S/C11H17N3O/c15-13-10-11(14-9-5-8-12-14)6-3-1-2-4-7-11/h5,8-9H,1-4,6-7,10H2
InChIKeyNCEATKHYKPDDPT-UHFFFAOYSA-N
XLogP2.70
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(nitrosomethyl)cycloheptyl]pyrazole?
The IUPAC name of 1-[1-(nitrosomethyl)cycloheptyl]pyrazole (CID 54103536) is 1-[1-(nitrosomethyl)cycloheptyl]pyrazole.
What is the SMILES notation for 1-[1-(nitrosomethyl)cycloheptyl]pyrazole?
The canonical SMILES for 1-[1-(nitrosomethyl)cycloheptyl]pyrazole is O=NCC1(n2cccn2)CCCCCC1.
What is the InChIKey of 1-[1-(nitrosomethyl)cycloheptyl]pyrazole?
The InChIKey is NCEATKHYKPDDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-13-10-11(14-9-5-8-12-14)6-3-1-2-4-7-11/h5,8-9H,1-4,6-7,10H2.
What are the key properties of 1-[1-(nitrosomethyl)cycloheptyl]pyrazole?
1-[1-(nitrosomethyl)cycloheptyl]pyrazole has a molecular weight of 207.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(nitrosomethyl)cycloheptyl]pyrazole is sourced from PubChem (CID 54103536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).