N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline

C15H20N4O2 — CID 114537666

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline
SMILESCc1cc(NCCCn2nc(C)cc2C)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N4O2/c1-11-7-14(10-15(8-11)19(20)21)16-5-4-6-18-13(3)9-12(2)17-18/h7-10,16H,4-6H2,1-3H3
InChIKeyVTDXRGHWECJRRZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.22
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline (PubChem CID 114537666) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline
PubChem CID114537666
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline
SMILESCc1cc(NCCCn2nc(C)cc2C)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N4O2/c1-11-7-14(10-15(8-11)19(20)21)16-5-4-6-18-13(3)9-12(2)17-18/h7-10,16H,4-6H2,1-3H3
InChIKeyVTDXRGHWECJRRZ-UHFFFAOYSA-N
XLogP3.22
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline 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-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine
CID 4767618
4-(3-methyl-5-nitroanilino)butanoic acid
CID 112648567
N-hex-5-ynyl-3-methyl-5-nitroaniline
CID 106214476
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine
CID 47092350
5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-nitroaniline
CID 114537549
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-nitrobenzamide
CID 87021338
3-methyl-5-nitro-N-(3-propoxypropyl)aniline
CID 112649379
2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide
CID 114539587
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide
CID 19293636
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-[2-(4-nitroanilino)ethyl]guanidine
CID 111279145
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114537305
N-(2-ethoxyethyl)-3-methyl-5-nitroaniline
CID 112648993

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline (CID 114537666) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline is Cc1cc(NCCCn2nc(C)cc2C)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline?
The InChIKey is VTDXRGHWECJRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-7-14(10-15(8-11)19(20)21)16-5-4-6-18-13(3)9-12(2)17-18/h7-10,16H,4-6H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline has a molecular weight of 288.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline is sourced from PubChem (CID 114537666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).