4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide

C17H14Cl2N4O2 — CID 162676994

IUPAC4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCc1ccc(Oc2ccc(Cl)nc2)cc1
InChIInChI=1S/C17H14Cl2N4O2/c1-23-16(14(18)10-22-23)17(24)21-8-11-2-4-12(5-3-11)25-13-6-7-15(19)20-9-13/h2-7,9-10H,8H2,1H3,(H,21,24)
InChIKeyPRBQRLNITWKXMV-UHFFFAOYSA-N
MW377.23 g/mol
LogP3.84
Rot. Bonds5

About 4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 162676994) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is 4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID162676994
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC Name4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCc1ccc(Oc2ccc(Cl)nc2)cc1
InChIInChI=1S/C17H14Cl2N4O2/c1-23-16(14(18)10-22-23)17(24)21-8-11-2-4-12(5-3-11)25-13-6-7-15(19)20-9-13/h2-7,9-10H,8H2,1H3,(H,21,24)
InChIKeyPRBQRLNITWKXMV-UHFFFAOYSA-N
XLogP3.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-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 4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide (CID 162676994) is 4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NCc1ccc(Oc2ccc(Cl)nc2)cc1.
What is the InChIKey of 4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is PRBQRLNITWKXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c1-23-16(14(18)10-22-23)17(24)21-8-11-2-4-12(5-3-11)25-13-6-7-15(19)20-9-13/h2-7,9-10H,8H2,1H3,(H,21,24).
What are the key properties of 4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 162676994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).