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

C24H19ClFN5O3 — CID 118497046

IUPAC5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCCO)c1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C24H19ClFN5O3/c25-18-13-19(26)17(20-8-4-5-9-27-20)12-16(18)23(33)29-22-14-21(24(34)28-10-11-32)30-31(22)15-6-2-1-3-7-15/h1-9,12-14,32H,10-11H2,(H,28,34)(H,29,33)
InChIKeySXCWMOYPOJNZAD-UHFFFAOYSA-N
MW479.90 g/mol
LogP3.70
Rot. Bonds7

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

5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 118497046) has the molecular formula C24H19ClFN5O3 and a molecular weight of 479.90 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
PubChem CID118497046
Molecular FormulaC24H19ClFN5O3
Molecular Weight479.90 g/mol
Exact Mass479.12
IUPAC Name5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCCO)c1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C24H19ClFN5O3/c25-18-13-19(26)17(20-8-4-5-9-27-20)12-16(18)23(33)29-22-14-21(24(34)28-10-11-32)30-31(22)15-6-2-1-3-7-15/h1-9,12-14,32H,10-11H2,(H,28,34)(H,29,33)
InChIKeySXCWMOYPOJNZAD-UHFFFAOYSA-N
XLogP3.70
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.90
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide (CID 118497046) is 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide is O=C(NCCO)c1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is SXCWMOYPOJNZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O3/c25-18-13-19(26)17(20-8-4-5-9-27-20)12-16(18)23(33)29-22-14-21(24(34)28-10-11-32)30-31(22)15-6-2-1-3-7-15/h1-9,12-14,32H,10-11H2,(H,28,34)(H,29,33).
What are the key properties of 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide?
5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 479.90 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118497046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).