N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine

C16H19FN4O2 — CID 133353681

IUPACN-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NC2CCCC2c2ccc(F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H19FN4O2/c1-10-15(21(22)23)16(20(2)19-10)18-14-5-3-4-13(14)11-6-8-12(17)9-7-11/h6-9,13-14,18H,3-5H2,1-2H3
InChIKeyNNBNCJVHFTULJY-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.52
Rot. Bonds4

About N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine

N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine (PubChem CID 133353681) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine
PubChem CID133353681
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NC2CCCC2c2ccc(F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H19FN4O2/c1-10-15(21(22)23)16(20(2)19-10)18-14-5-3-4-13(14)11-6-8-12(17)9-7-11/h6-9,13-14,18H,3-5H2,1-2H3
InChIKeyNNBNCJVHFTULJY-UHFFFAOYSA-N
XLogP3.52
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
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 N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine?
The IUPAC name of N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine (CID 133353681) is N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine is Cc1nn(C)c(NC2CCCC2c2ccc(F)cc2)c1[N+](=O)[O-].
What is the InChIKey of N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine?
The InChIKey is NNBNCJVHFTULJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-10-15(21(22)23)16(20(2)19-10)18-14-5-3-4-13(14)11-6-8-12(17)9-7-11/h6-9,13-14,18H,3-5H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine?
N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine has a molecular weight of 318.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 133353681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).