5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide

C25H20ClN5O2 — CID 126962650

IUPAC5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(C3CC3)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H20ClN5O2/c26-20-13-17(15-9-10-15)18(21-8-4-5-11-28-21)12-19(20)25(33)29-23-14-22(24(27)32)30-31(23)16-6-2-1-3-7-16/h1-8,11-15H,9-10H2,(H2,27,32)(H,29,33)
InChIKeyTUOHPXSGIUGQKB-UHFFFAOYSA-N
MW457.92 g/mol
LogP4.82
Rot. Bonds6

About 5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide

5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 126962650) has the molecular formula C25H20ClN5O2 and a molecular weight of 457.92 g/mol. Its IUPAC name is 5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
PubChem CID126962650
Molecular FormulaC25H20ClN5O2
Molecular Weight457.92 g/mol
Exact Mass457.13
IUPAC Name5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(C3CC3)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H20ClN5O2/c26-20-13-17(15-9-10-15)18(21-8-4-5-11-28-21)12-19(20)25(33)29-23-14-22(24(27)32)30-31(23)16-6-2-1-3-7-16/h1-8,11-15H,9-10H2,(H2,27,32)(H,29,33)
InChIKeyTUOHPXSGIUGQKB-UHFFFAOYSA-N
XLogP4.82
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide (CID 126962650) is 5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide is NC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(C3CC3)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is TUOHPXSGIUGQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2/c26-20-13-17(15-9-10-15)18(21-8-4-5-11-28-21)12-19(20)25(33)29-23-14-22(24(27)32)30-31(23)16-6-2-1-3-7-16/h1-8,11-15H,9-10H2,(H2,27,32)(H,29,33).
What are the key properties of 5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 126962650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).