1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine

C10H11N5O2 — CID 106748992

IUPAC1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine
SMILESCn1cc(Nc2ccc([N+](=O)[O-])c(N)c2)cn1
InChIInChI=1S/C10H11N5O2/c1-14-6-8(5-12-14)13-7-2-3-10(15(16)17)9(11)4-7/h2-6,13H,11H2,1H3
InChIKeyFNPUZGQHCUKLSI-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.65
Rot. Bonds3

About 1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine

1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine (PubChem CID 106748992) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine
PubChem CID106748992
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine
SMILESCn1cc(Nc2ccc([N+](=O)[O-])c(N)c2)cn1
InChIInChI=1S/C10H11N5O2/c1-14-6-8(5-12-14)13-7-2-3-10(15(16)17)9(11)4-7/h2-6,13H,11H2,1H3
InChIKeyFNPUZGQHCUKLSI-UHFFFAOYSA-N
XLogP1.65
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine
CID 43543829
2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 79770383
4-nitro-1-N-(4-propan-2-ylphenyl)benzene-1,3-diamine
CID 106751342
2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide
CID 61305903
2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
CID 79770557
1-N-naphthalen-2-yl-4-nitrobenzene-1,3-diamine
CID 106751534
1-N-(3-fluoro-4-methoxyphenyl)-4-nitrobenzene-1,3-diamine
CID 106751443
1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
CID 63671776
N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide
CID 87044112
N-(3-methoxy-4-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 63669987
N-(1-methylpyrazol-4-yl)-4-[(1-methylpyrazol-4-yl)methyl]-5-nitropyrimidin-2-amine
CID 159896045
1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine
CID 23212800

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine?
The IUPAC name of 1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine (CID 106748992) is 1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine.
What is the SMILES notation for 1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine?
The canonical SMILES for 1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine is Cn1cc(Nc2ccc([N+](=O)[O-])c(N)c2)cn1.
What is the InChIKey of 1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine?
The InChIKey is FNPUZGQHCUKLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-14-6-8(5-12-14)13-7-2-3-10(15(16)17)9(11)4-7/h2-6,13H,11H2,1H3.
What are the key properties of 1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine?
1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine has a molecular weight of 233.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine is sourced from PubChem (CID 106748992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).