1-cyclopentyl-3-nitropyrazole-4-carbonitrile

C9H10N4O2 — CID 146680487

IUPAC1-cyclopentyl-3-nitropyrazole-4-carbonitrile
SMILESN#Cc1cn(C2CCCC2)nc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O2/c10-5-7-6-12(8-3-1-2-4-8)11-9(7)13(14)15/h6,8H,1-4H2
InChIKeyPFIWIRJRTMVWDS-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.78
Rot. Bonds2

About 1-cyclopentyl-3-nitropyrazole-4-carbonitrile

1-cyclopentyl-3-nitropyrazole-4-carbonitrile (PubChem CID 146680487) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-cyclopentyl-3-nitropyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-3-nitropyrazole-4-carbonitrile
PubChem CID146680487
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name1-cyclopentyl-3-nitropyrazole-4-carbonitrile
SMILESN#Cc1cn(C2CCCC2)nc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O2/c10-5-7-6-12(8-3-1-2-4-8)11-9(7)13(14)15/h6,8H,1-4H2
InChIKeyPFIWIRJRTMVWDS-UHFFFAOYSA-N
XLogP1.78
TPSA84.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-nitropyrazole-4-carbonitrile?
The IUPAC name of 1-cyclopentyl-3-nitropyrazole-4-carbonitrile (CID 146680487) is 1-cyclopentyl-3-nitropyrazole-4-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-3-nitropyrazole-4-carbonitrile?
The canonical SMILES for 1-cyclopentyl-3-nitropyrazole-4-carbonitrile is N#Cc1cn(C2CCCC2)nc1[N+](=O)[O-].
What is the InChIKey of 1-cyclopentyl-3-nitropyrazole-4-carbonitrile?
The InChIKey is PFIWIRJRTMVWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-5-7-6-12(8-3-1-2-4-8)11-9(7)13(14)15/h6,8H,1-4H2.
What are the key properties of 1-cyclopentyl-3-nitropyrazole-4-carbonitrile?
1-cyclopentyl-3-nitropyrazole-4-carbonitrile has a molecular weight of 206.20 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-nitropyrazole-4-carbonitrile is sourced from PubChem (CID 146680487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).