1-(2-cycloheptyl-2-nitrosoethyl)pyrazole

C12H19N3O — CID 54261677

IUPAC1-(2-cycloheptyl-2-nitrosoethyl)pyrazole
SMILESO=NC(Cn1cccn1)C1CCCCCC1
InChIInChI=1S/C12H19N3O/c16-14-12(10-15-9-5-8-13-15)11-6-3-1-2-4-7-11/h5,8-9,11-12H,1-4,6-7,10H2
InChIKeyRDYSBRRQHSSRPZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.99
Rot. Bonds4

About 1-(2-cycloheptyl-2-nitrosoethyl)pyrazole

1-(2-cycloheptyl-2-nitrosoethyl)pyrazole (PubChem CID 54261677) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-cycloheptyl-2-nitrosoethyl)pyrazole.

Molecular Properties

Compound Name1-(2-cycloheptyl-2-nitrosoethyl)pyrazole
PubChem CID54261677
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(2-cycloheptyl-2-nitrosoethyl)pyrazole
SMILESO=NC(Cn1cccn1)C1CCCCCC1
InChIInChI=1S/C12H19N3O/c16-14-12(10-15-9-5-8-13-15)11-6-3-1-2-4-7-11/h5,8-9,11-12H,1-4,6-7,10H2
InChIKeyRDYSBRRQHSSRPZ-UHFFFAOYSA-N
XLogP2.99
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-1H-Pyrazole
CID 63811257
1-(4-Methyloctyl)pyrazole
CID 17935420
1-cycloheptyl-1H-pyrazole
CID 18705003
1-(2-Ethylhexyl)pyrazole
CID 20034899
1-[3-(Nitrosomethyl)pentan-3-yl]pyrazole
CID 53816419
1-(3-Methyl-2-nitrosobutyl)pyrazole
CID 53890150
1-(2-Cyclohexyl-2-nitrosoethyl)pyrazole
CID 53915598
1-(3,3-Dimethyl-2-nitrosobutyl)pyrazole
CID 53970444
1-[1-(Nitrosomethyl)cycloheptyl]pyrazole
CID 54103536
1-(4,4-Dimethyl-3-nitrosopentan-2-yl)pyrazole
CID 54377020
1-[1-(Nitrosomethyl)cyclopentyl]pyrazole
CID 54470106
1-(2-Cyclopentylethyl)pyrazole
CID 57072878

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptyl-2-nitrosoethyl)pyrazole?
The IUPAC name of 1-(2-cycloheptyl-2-nitrosoethyl)pyrazole (CID 54261677) is 1-(2-cycloheptyl-2-nitrosoethyl)pyrazole.
What is the SMILES notation for 1-(2-cycloheptyl-2-nitrosoethyl)pyrazole?
The canonical SMILES for 1-(2-cycloheptyl-2-nitrosoethyl)pyrazole is O=NC(Cn1cccn1)C1CCCCCC1.
What is the InChIKey of 1-(2-cycloheptyl-2-nitrosoethyl)pyrazole?
The InChIKey is RDYSBRRQHSSRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-14-12(10-15-9-5-8-13-15)11-6-3-1-2-4-7-11/h5,8-9,11-12H,1-4,6-7,10H2.
What are the key properties of 1-(2-cycloheptyl-2-nitrosoethyl)pyrazole?
1-(2-cycloheptyl-2-nitrosoethyl)pyrazole has a molecular weight of 221.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptyl-2-nitrosoethyl)pyrazole is sourced from PubChem (CID 54261677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).