5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine

C14H11N5O2 — CID 80841770

IUPAC5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C14H11N5O2/c15-13-7-6-12(19(20)21)14(17-13)18-9-11(8-16-18)10-4-2-1-3-5-10/h1-9H,(H2,15,17)
InChIKeyCBMCKNFLRASERZ-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.42
Rot. Bonds3

About 5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine

5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine (PubChem CID 80841770) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine
PubChem CID80841770
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C14H11N5O2/c15-13-7-6-12(19(20)21)14(17-13)18-9-11(8-16-18)10-4-2-1-3-5-10/h1-9H,(H2,15,17)
InChIKeyCBMCKNFLRASERZ-UHFFFAOYSA-N
XLogP2.42
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

2-nitro-3-(4-phenylpyrazol-1-yl)aniline
CID 80840317
5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 80857400
6-(benzotriazol-1-yl)-5-nitropyridin-2-amine
CID 80853759
5-(4-phenylpyrazol-1-yl)pyrazin-2-amine
CID 80663482
5-nitro-6-piperazin-1-ylpyridin-2-amine
CID 80837104
[5-chloro-4-(4-phenylpyrazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80901909
5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
CID 79534571
1-(2-amino-5-nitropyrimidin-4-yl)pyrazole-4-carboxamide
CID 114045473
methyl 6-(4-chloropyrazol-1-yl)-5-nitropyridine-2-carboxylate
CID 114403069
6-chloro-5-nitropyridin-2-amine
CID 3069277
5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine
CID 114691050
5-bromo-4-methyl-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
CID 104507188

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine?
The IUPAC name of 5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine (CID 80841770) is 5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine.
What is the SMILES notation for 5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine?
The canonical SMILES for 5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine is Nc1ccc([N+](=O)[O-])c(-n2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of 5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine?
The InChIKey is CBMCKNFLRASERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c15-13-7-6-12(19(20)21)14(17-13)18-9-11(8-16-18)10-4-2-1-3-5-10/h1-9H,(H2,15,17).
What are the key properties of 5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine?
5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine has a molecular weight of 281.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(4-phenylpyrazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 80841770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).