N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine

C16H20N6O4 — CID 133446904

IUPACN-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
SMILESO=[N+]([O-])c1ccc(Nc2cnn(CCN3CCCCC3)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H20N6O4/c23-21(24)14-4-5-15(16(10-14)22(25)26)18-13-11-17-20(12-13)9-8-19-6-2-1-3-7-19/h4-5,10-12,18H,1-3,6-9H2
InChIKeyXDOCMTDPGZRYLW-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.93
Rot. Bonds7

About N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine

N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine (PubChem CID 133446904) has the molecular formula C16H20N6O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
PubChem CID133446904
Molecular FormulaC16H20N6O4
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC NameN-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
SMILESO=[N+]([O-])c1ccc(Nc2cnn(CCN3CCCCC3)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H20N6O4/c23-21(24)14-4-5-15(16(10-14)22(25)26)18-13-11-17-20(12-13)9-8-19-6-2-1-3-7-19/h4-5,10-12,18H,1-3,6-9H2
InChIKeyXDOCMTDPGZRYLW-UHFFFAOYSA-N
XLogP2.93
TPSA119.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
CID 133446885
6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
CID 133446818
methyl 2-nitro-5-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]benzoate
CID 133446833
N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine
CID 133389844
2-[4-[(2,4-dinitroanilino)methyl]pyrazol-1-yl]ethanol
CID 136575248
1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine
CID 56807209
3-(4-benzylpiperazin-1-yl)-1-[4-(2,4-dinitroanilino)phenyl]propan-1-one;dihydrochloride
CID 87824427
3-nitro-4-[4-(piperidin-1-ylmethyl)anilino]benzenesulfonamide
CID 108776114
N-[2-(1-methylpyrazol-4-yl)ethyl]-2,4-dinitroaniline
CID 112729353
4-N-(2,4-dinitrophenyl)-1-N-methylbenzene-1,4-diamine
CID 102249231
N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 62375922
6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine
CID 133446921

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine?
The IUPAC name of N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine (CID 133446904) is N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine.
What is the SMILES notation for N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine?
The canonical SMILES for N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine is O=[N+]([O-])c1ccc(Nc2cnn(CCN3CCCCC3)c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine?
The InChIKey is XDOCMTDPGZRYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O4/c23-21(24)14-4-5-15(16(10-14)22(25)26)18-13-11-17-20(12-13)9-8-19-6-2-1-3-7-19/h4-5,10-12,18H,1-3,6-9H2.
What are the key properties of N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine?
N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine has a molecular weight of 360.37 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine is sourced from PubChem (CID 133446904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).