N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine

C16H16ClN7O4 — CID 134090774

IUPACN-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(N(c2ccc(Cl)cc2)c2c([N+](=O)[O-])c(C)nn2C)c1[N+](=O)[O-]
InChIInChI=1S/C16H16ClN7O4/c1-9-13(23(25)26)15(20(3)18-9)22(12-7-5-11(17)6-8-12)16-14(24(27)28)10(2)19-21(16)4/h5-8H,1-4H3
InChIKeyAKLBRGIAQJKCGG-UHFFFAOYSA-N
MW405.80 g/mol
LogP3.71
Rot. Bonds5

About N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine

N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine (PubChem CID 134090774) has the molecular formula C16H16ClN7O4 and a molecular weight of 405.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine
PubChem CID134090774
Molecular FormulaC16H16ClN7O4
Molecular Weight405.80 g/mol
Exact Mass405.10
IUPAC NameN-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(N(c2ccc(Cl)cc2)c2c([N+](=O)[O-])c(C)nn2C)c1[N+](=O)[O-]
InChIInChI=1S/C16H16ClN7O4/c1-9-13(23(25)26)15(20(3)18-9)22(12-7-5-11(17)6-8-12)16-14(24(27)28)10(2)19-21(16)4/h5-8H,1-4H3
InChIKeyAKLBRGIAQJKCGG-UHFFFAOYSA-N
XLogP3.71
TPSA125.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.80
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chloro-2-pyridinyl)methyl]-N,1,3-trimethyl-4-nitropyrazol-5-amine
CID 154784255
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine
CID 62686664
(4-chlorophenyl)methyl-(1,3-dimethyl-4-nitropyrazol-5-yl)diazene
CID 90913966
N-[2-(4-chlorophenyl)ethyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 2807341
N-[(4-chlorophenyl)methyl]-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine
CID 133423548
1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine
CID 130557665
N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine
CID 133276802
1-(4-chlorophenyl)-2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
CID 60500157
2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
CID 61448439
4-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-N-ethylcyclohexane-1,4-diamine
CID 79111620
methyl 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957493
N,1,3-trimethyl-4-nitro-N-(3-phenoxypropyl)pyrazol-5-amine
CID 60503568

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine?
The IUPAC name of N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine (CID 134090774) is N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine is Cc1nn(C)c(N(c2ccc(Cl)cc2)c2c([N+](=O)[O-])c(C)nn2C)c1[N+](=O)[O-].
What is the InChIKey of N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine?
The InChIKey is AKLBRGIAQJKCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN7O4/c1-9-13(23(25)26)15(20(3)18-9)22(12-7-5-11(17)6-8-12)16-14(24(27)28)10(2)19-21(16)4/h5-8H,1-4H3.
What are the key properties of N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine?
N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine has a molecular weight of 405.80 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-1,3-dimethyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 134090774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).