1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid

C9H11N3O3 — CID 145428197

IUPAC1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid
SMILESO=Nc1cc(C(=O)O)n(C2CCCC2)n1
InChIInChI=1S/C9H11N3O3/c13-9(14)7-5-8(11-15)10-12(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,13,14)
InChIKeyHKZMJFFYHFRFLF-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.09
Rot. Bonds3

About 1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid

1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid (PubChem CID 145428197) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid
PubChem CID145428197
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid
SMILESO=Nc1cc(C(=O)O)n(C2CCCC2)n1
InChIInChI=1S/C9H11N3O3/c13-9(14)7-5-8(11-15)10-12(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,13,14)
InChIKeyHKZMJFFYHFRFLF-UHFFFAOYSA-N
XLogP2.09
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid (CID 145428197) is 1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid is O=Nc1cc(C(=O)O)n(C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid?
The InChIKey is HKZMJFFYHFRFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-9(14)7-5-8(11-15)10-12(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,13,14).
What are the key properties of 1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid?
1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid is sourced from PubChem (CID 145428197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).