N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine

C13H16N4O2 — CID 133389844

IUPACN-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine
SMILESCCCn1cc(Nc2ccc(C)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H16N4O2/c1-3-6-16-9-11(8-14-16)15-12-5-4-10(2)7-13(12)17(18)19/h4-5,7-9,15H,3,6H2,1-2H3
InChIKeyQOYCYFSOCCTEPW-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.25
Rot. Bonds5

About N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine

N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine (PubChem CID 133389844) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine
PubChem CID133389844
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine
SMILESCCCn1cc(Nc2ccc(C)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H16N4O2/c1-3-6-16-9-11(8-14-16)15-12-5-4-10(2)7-13(12)17(18)19/h4-5,7-9,15H,3,6H2,1-2H3
InChIKeyQOYCYFSOCCTEPW-UHFFFAOYSA-N
XLogP3.25
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.25
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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Related Compounds

N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
CID 133446904
3-[4-[(4-methyl-2-nitrophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471153
N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280045
N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 62375922
2-N-methyl-5-N-(4-methyl-2-nitrophenyl)pyridine-2,5-diamine
CID 133389276
1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
CID 63671776
carbon dioxide;4-methyl-2-nitro-N-phenylaniline
CID 91236628
1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine
CID 43543829
N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
CID 133446885
4-bromo-N-(4-methylphenyl)-2-nitroaniline
CID 63463973
4-(4-methyl-2-nitroanilino)benzoic acid
CID 43172016
2-[4-[(4-methyl-2-nitroanilino)methyl]triazol-1-yl]ethanol
CID 66270561

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine?
The IUPAC name of N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine (CID 133389844) is N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine.
What is the SMILES notation for N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine?
The canonical SMILES for N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine is CCCn1cc(Nc2ccc(C)cc2[N+](=O)[O-])cn1.
What is the InChIKey of N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine?
The InChIKey is QOYCYFSOCCTEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-6-16-9-11(8-14-16)15-12-5-4-10(2)7-13(12)17(18)19/h4-5,7-9,15H,3,6H2,1-2H3.
What are the key properties of N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine?
N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine has a molecular weight of 260.30 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine is sourced from PubChem (CID 133389844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).