4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide

C15H16Cl2N4O3 — CID 19295602

IUPAC4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide
SMILESCc1nn(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1Cl
InChIInChI=1S/C15H16Cl2N4O3/c1-9-14(17)10(2)20(19-9)7-3-6-18-15(22)11-4-5-12(16)13(8-11)21(23)24/h4-5,8H,3,6-7H2,1-2H3,(H,18,22)
InChIKeyAPFHUJICRYTWQH-UHFFFAOYSA-N
MW371.22 g/mol
LogP3.54
Rot. Bonds6

About 4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide

4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide (PubChem CID 19295602) has the molecular formula C15H16Cl2N4O3 and a molecular weight of 371.22 g/mol. Its IUPAC name is 4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide
PubChem CID19295602
Molecular FormulaC15H16Cl2N4O3
Molecular Weight371.22 g/mol
Exact Mass370.06
IUPAC Name4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide
SMILESCc1nn(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1Cl
InChIInChI=1S/C15H16Cl2N4O3/c1-9-14(17)10(2)20(19-9)7-3-6-18-15(22)11-4-5-12(16)13(8-11)21(23)24/h4-5,8H,3,6-7H2,1-2H3,(H,18,22)
InChIKeyAPFHUJICRYTWQH-UHFFFAOYSA-N
XLogP3.54
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 53.54
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 4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide 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

3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-[(4-chloro-3-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084907
4-chloro-N-[3-[(4-chloro-3-nitrobenzoyl)amino]propyl]-3-nitrobenzamide
CID 4981185
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(3-methyl-4-nitrophenoxy)methyl]benzamide
CID 19295482
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266535
4-chloro-N-(5-hydroxypentyl)-3-nitrobenzamide
CID 107317151
4-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 19329136
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19295521
N-(5-amino-5-oxopentyl)-4-chloro-3-nitrobenzamide
CID 106235410
4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803657
6-[(4-chloro-3-nitrobenzoyl)amino]hexanoic acid
CID 103602649
4-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19332121
4-chloro-N-[3-(2-methoxyethoxy)propyl]-3-nitrobenzamide
CID 60668587

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide (CID 19295602) is 4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide is Cc1nn(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1Cl.
What is the InChIKey of 4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide?
The InChIKey is APFHUJICRYTWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O3/c1-9-14(17)10(2)20(19-9)7-3-6-18-15(22)11-4-5-12(16)13(8-11)21(23)24/h4-5,8H,3,6-7H2,1-2H3,(H,18,22).
What are the key properties of 4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide?
4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide has a molecular weight of 371.22 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide is sourced from PubChem (CID 19295602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).