N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide

C14H14Cl2N4O4 — CID 7311364

IUPACN-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H14Cl2N4O4/c1-8-13(16)14(20(23)24)18-19(8)6-2-3-12(22)17-10-7-9(15)4-5-11(10)21/h4-5,7,21H,2-3,6H2,1H3,(H,17,22)
InChIKeyBUVBFECNVHUUGY-UHFFFAOYSA-N
MW373.20 g/mol
LogP3.53
Rot. Bonds6

About N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide

N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide (PubChem CID 7311364) has the molecular formula C14H14Cl2N4O4 and a molecular weight of 373.20 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide
PubChem CID7311364
Molecular FormulaC14H14Cl2N4O4
Molecular Weight373.20 g/mol
Exact Mass372.04
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H14Cl2N4O4/c1-8-13(16)14(20(23)24)18-19(8)6-2-3-12(22)17-10-7-9(15)4-5-11(10)21/h4-5,7,21H,2-3,6H2,1H3,(H,17,22)
InChIKeyBUVBFECNVHUUGY-UHFFFAOYSA-N
XLogP3.53
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide (CID 7311364) is N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide is Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide?
The InChIKey is BUVBFECNVHUUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O4/c1-8-13(16)14(20(23)24)18-19(8)6-2-3-12(22)17-10-7-9(15)4-5-11(10)21/h4-5,7,21H,2-3,6H2,1H3,(H,17,22).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide?
N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide has a molecular weight of 373.20 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide is sourced from PubChem (CID 7311364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).