5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide

C24H19ClFN5O4 — CID 118497047

IUPAC5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide
SMILESO=C(NCCO)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2cccc(O)c2)n1
InChIInChI=1S/C24H19ClFN5O4/c25-18-7-6-14(22-19(26)5-2-8-27-22)11-17(18)23(34)29-21-13-20(24(35)28-9-10-32)30-31(21)15-3-1-4-16(33)12-15/h1-8,11-13,32-33H,9-10H2,(H,28,35)(H,29,34)
InChIKeyQRGGSEOXQBSHAR-UHFFFAOYSA-N
MW495.90 g/mol
LogP3.41
Rot. Bonds7

About 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide

5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide (PubChem CID 118497047) has the molecular formula C24H19ClFN5O4 and a molecular weight of 495.90 g/mol. Its IUPAC name is 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide
PubChem CID118497047
Molecular FormulaC24H19ClFN5O4
Molecular Weight495.90 g/mol
Exact Mass495.11
IUPAC Name5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide
SMILESO=C(NCCO)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2cccc(O)c2)n1
InChIInChI=1S/C24H19ClFN5O4/c25-18-7-6-14(22-19(26)5-2-8-27-22)11-17(18)23(34)29-21-13-20(24(35)28-9-10-32)30-31(21)15-3-1-4-16(33)12-15/h1-8,11-13,32-33H,9-10H2,(H,28,35)(H,29,34)
InChIKeyQRGGSEOXQBSHAR-UHFFFAOYSA-N
XLogP3.41
TPSA129.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.90
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-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 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide (CID 118497047) is 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide is O=C(NCCO)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2cccc(O)c2)n1.
What is the InChIKey of 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide?
The InChIKey is QRGGSEOXQBSHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O4/c25-18-7-6-14(22-19(26)5-2-8-27-22)11-17(18)23(34)29-21-13-20(24(35)28-9-10-32)30-31(21)15-3-1-4-16(33)12-15/h1-8,11-13,32-33H,9-10H2,(H,28,35)(H,29,34).
What are the key properties of 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide?
5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide has a molecular weight of 495.90 g/mol, XLogP of 3.41, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-(3-hydroxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 118497047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).