3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide

C16H17ClF2N4O3 — CID 15947767

IUPAC3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide
SMILESCCN(CCOC)C(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)n[nH]1
InChIInChI=1S/C16H17ClF2N4O3/c1-3-23(4-5-26-2)16(25)13-8-14(22-21-13)20-15(24)9-6-11(18)12(19)7-10(9)17/h6-8H,3-5H2,1-2H3,(H2,20,21,22,24)
InChIKeyFVJFGMJZEKNUHY-UHFFFAOYSA-N
MW386.79 g/mol
LogP2.70
Rot. Bonds7

About 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide

3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide (PubChem CID 15947767) has the molecular formula C16H17ClF2N4O3 and a molecular weight of 386.79 g/mol. Its IUPAC name is 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide
PubChem CID15947767
Molecular FormulaC16H17ClF2N4O3
Molecular Weight386.79 g/mol
Exact Mass386.10
IUPAC Name3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide
SMILESCCN(CCOC)C(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)n[nH]1
InChIInChI=1S/C16H17ClF2N4O3/c1-3-23(4-5-26-2)16(25)13-8-14(22-21-13)20-15(24)9-6-11(18)12(19)7-10(9)17/h6-8H,3-5H2,1-2H3,(H2,20,21,22,24)
InChIKeyFVJFGMJZEKNUHY-UHFFFAOYSA-N
XLogP2.70
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide 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 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide (CID 15947767) is 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide is CCN(CCOC)C(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)n[nH]1.
What is the InChIKey of 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FVJFGMJZEKNUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N4O3/c1-3-23(4-5-26-2)16(25)13-8-14(22-21-13)20-15(24)9-6-11(18)12(19)7-10(9)17/h6-8H,3-5H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide?
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 386.79 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-ethyl-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 15947767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).