1-[1-(nitrosomethyl)cyclopentyl]pyrazole

C9H13N3O — CID 54470106

IUPAC1-[1-(nitrosomethyl)cyclopentyl]pyrazole
SMILESO=NCC1(n2cccn2)CCCC1
InChIInChI=1S/C9H13N3O/c13-11-8-9(4-1-2-5-9)12-7-3-6-10-12/h3,6-7H,1-2,4-5,8H2
InChIKeyXHSSVXJAHIHYRV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.92
Rot. Bonds3

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

1-[1-(nitrosomethyl)cyclopentyl]pyrazole (PubChem CID 54470106) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-[1-(nitrosomethyl)cyclopentyl]pyrazole.

Molecular Properties

Compound Name1-[1-(nitrosomethyl)cyclopentyl]pyrazole
PubChem CID54470106
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-[1-(nitrosomethyl)cyclopentyl]pyrazole
SMILESO=NCC1(n2cccn2)CCCC1
InChIInChI=1S/C9H13N3O/c13-11-8-9(4-1-2-5-9)12-7-3-6-10-12/h3,6-7H,1-2,4-5,8H2
InChIKeyXHSSVXJAHIHYRV-UHFFFAOYSA-N
XLogP1.92
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(nitrosomethyl)cyclopentyl]pyrazole?
The IUPAC name of 1-[1-(nitrosomethyl)cyclopentyl]pyrazole (CID 54470106) is 1-[1-(nitrosomethyl)cyclopentyl]pyrazole.
What is the SMILES notation for 1-[1-(nitrosomethyl)cyclopentyl]pyrazole?
The canonical SMILES for 1-[1-(nitrosomethyl)cyclopentyl]pyrazole is O=NCC1(n2cccn2)CCCC1.
What is the InChIKey of 1-[1-(nitrosomethyl)cyclopentyl]pyrazole?
The InChIKey is XHSSVXJAHIHYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-11-8-9(4-1-2-5-9)12-7-3-6-10-12/h3,6-7H,1-2,4-5,8H2.
What are the key properties of 1-[1-(nitrosomethyl)cyclopentyl]pyrazole?
1-[1-(nitrosomethyl)cyclopentyl]pyrazole has a molecular weight of 179.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(nitrosomethyl)cyclopentyl]pyrazole is sourced from PubChem (CID 54470106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).