5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide

C24H20ClN5O2 — CID 155533969

IUPAC5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C24H20ClN5O2/c1-29(2)24(32)21-15-22(30(28-21)17-8-4-3-5-9-17)27-23(31)18-14-16(11-12-19(18)25)20-10-6-7-13-26-20/h3-15H,1-2H3,(H,27,31)
InChIKeyGQNXETYVZSVQDO-UHFFFAOYSA-N
MW445.91 g/mol
LogP4.54
Rot. Bonds5

About 5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide

5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide (PubChem CID 155533969) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is 5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide
PubChem CID155533969
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC Name5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C24H20ClN5O2/c1-29(2)24(32)21-15-22(30(28-21)17-8-4-3-5-9-17)27-23(31)18-14-16(11-12-19(18)25)20-10-6-7-13-26-20/h3-15H,1-2H3,(H,27,31)
InChIKeyGQNXETYVZSVQDO-UHFFFAOYSA-N
XLogP4.54
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide (CID 155533969) is 5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide is CN(C)C(=O)c1cc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is GQNXETYVZSVQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-29(2)24(32)21-15-22(30(28-21)17-8-4-3-5-9-17)27-23(31)18-14-16(11-12-19(18)25)20-10-6-7-13-26-20/h3-15H,1-2H3,(H,27,31).
What are the key properties of 5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide?
5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 445.91 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5-pyridin-2-ylbenzoyl)amino]-N,N-dimethyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 155533969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).