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

C14H13ClF2N4O3 — CID 22422602

IUPAC4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H13ClF2N4O3/c1-8-13(15)14(21(23)24)19-20(8)6-2-3-12(22)18-11-5-4-9(16)7-10(11)17/h4-5,7H,2-3,6H2,1H3,(H,18,22)
InChIKeyUOYYPWODTMMFIC-UHFFFAOYSA-N
MW358.73 g/mol
LogP3.45
Rot. Bonds6

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

4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide (PubChem CID 22422602) has the molecular formula C14H13ClF2N4O3 and a molecular weight of 358.73 g/mol. Its IUPAC name is 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide
PubChem CID22422602
Molecular FormulaC14H13ClF2N4O3
Molecular Weight358.73 g/mol
Exact Mass358.06
IUPAC Name4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H13ClF2N4O3/c1-8-13(15)14(21(23)24)19-20(8)6-2-3-12(22)18-11-5-4-9(16)7-10(11)17/h4-5,7H,2-3,6H2,1H3,(H,18,22)
InChIKeyUOYYPWODTMMFIC-UHFFFAOYSA-N
XLogP3.45
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.73
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)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 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide?
The IUPAC name of 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide (CID 22422602) is 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide?
The canonical SMILES for 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide is Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide?
The InChIKey is UOYYPWODTMMFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N4O3/c1-8-13(15)14(21(23)24)19-20(8)6-2-3-12(22)18-11-5-4-9(16)7-10(11)17/h4-5,7H,2-3,6H2,1H3,(H,18,22).
What are the key properties of 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide?
4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide has a molecular weight of 358.73 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,4-difluorophenyl)butanamide is sourced from PubChem (CID 22422602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).