1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine

C14H11N5O2 — CID 83205383

IUPAC1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine
SMILESNc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccncc1
InChIInChI=1S/C14H11N5O2/c15-13-9-18(11-1-3-12(4-2-11)19(20)21)17-14(13)10-5-7-16-8-6-10/h1-9H,15H2
InChIKeyKDYGOWQXAGZKRU-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.42
Rot. Bonds3

About 1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine

1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine (PubChem CID 83205383) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine
PubChem CID83205383
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine
SMILESNc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccncc1
InChIInChI=1S/C14H11N5O2/c15-13-9-18(11-1-3-12(4-2-11)19(20)21)17-14(13)10-5-7-16-8-6-10/h1-9H,15H2
InChIKeyKDYGOWQXAGZKRU-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

1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine
CID 83222758
4-nitropyridine;hydrate
CID 132647818
4-(fluoromethyl)-3-(4-nitrophenyl)-1-phenylpyrazole
CID 122229636
2-(4-nitrophenyl)sulfanyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
CID 60604555
1-[(2R)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 6976236
3-(1-ethylpyrazol-4-yl)-1-pyridin-4-ylpyrazol-4-amine
CID 83218357
3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83217202
(E)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 60583051
2-[4-bromo-1-(4-nitrophenyl)pyrazol-3-yl]ethanamine
CID 116818595
3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine
CID 83216722
5-methyl-11-(4-nitrophenyl)-3-pyridin-4-yl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 66506946
1-(4-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758581

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine?
The IUPAC name of 1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine (CID 83205383) is 1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine.
What is the SMILES notation for 1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine?
The canonical SMILES for 1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine is Nc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccncc1.
What is the InChIKey of 1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine?
The InChIKey is KDYGOWQXAGZKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c15-13-9-18(11-1-3-12(4-2-11)19(20)21)17-14(13)10-5-7-16-8-6-10/h1-9H,15H2.
What are the key properties of 1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine?
1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-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 1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine is sourced from PubChem (CID 83205383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).