4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine

C10H11N5O2 — CID 103079512

IUPAC4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine
SMILESCn1cc([N+](=O)[O-])c(Nc2ccc(N)cc2)n1
InChIInChI=1S/C10H11N5O2/c1-14-6-9(15(16)17)10(13-14)12-8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H,12,13)
InChIKeyWKRVXIGAEASHSH-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.65
Rot. Bonds3

About 4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine

4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine (PubChem CID 103079512) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine
PubChem CID103079512
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine
SMILESCn1cc([N+](=O)[O-])c(Nc2ccc(N)cc2)n1
InChIInChI=1S/C10H11N5O2/c1-14-6-9(15(16)17)10(13-14)12-8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H,12,13)
InChIKeyWKRVXIGAEASHSH-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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

2-chloro-4-[(1-methyl-4-nitropyrazol-3-yl)amino]benzoic acid
CID 103079283
4-N-(5-methyl-3-nitro-2-pyridinyl)benzene-1,4-diamine
CID 66279805
1-methyl-N-(3-methylbutan-2-yl)-4-nitropyrazol-3-amine
CID 103079678
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
CID 103079637
4-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,4-diamine
CID 79173729
4-[(1-methyl-4-nitropyrazol-3-yl)amino]butanamide
CID 103079719
1-methyl-N-[(1-methyl-4-nitropyrazol-3-yl)diazenyl]-4-nitropyrazol-3-amine
CID 14568855
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933
1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine
CID 106748992
N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide
CID 3958331
1-methyl-4-nitro-N-(oxan-4-yl)pyrazol-3-amine
CID 103079711

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine (CID 103079512) is 4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine is Cn1cc([N+](=O)[O-])c(Nc2ccc(N)cc2)n1.
What is the InChIKey of 4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine?
The InChIKey is WKRVXIGAEASHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-14-6-9(15(16)17)10(13-14)12-8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine?
4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-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 4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 103079512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).