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

C24H19ClFN5O3 — CID 118497101

IUPAC5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCCO)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C24H19ClFN5O3/c25-18-9-8-15(22-19(26)7-4-10-27-22)13-17(18)23(33)29-21-14-20(24(34)28-11-12-32)30-31(21)16-5-2-1-3-6-16/h1-10,13-14,32H,11-12H2,(H,28,34)(H,29,33)
InChIKeyCRRVAFLCSZOCID-UHFFFAOYSA-N
MW479.90 g/mol
LogP3.70
Rot. Bonds7

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

5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 118497101) has the molecular formula C24H19ClFN5O3 and a molecular weight of 479.90 g/mol. Its IUPAC name is 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
PubChem CID118497101
Molecular FormulaC24H19ClFN5O3
Molecular Weight479.90 g/mol
Exact Mass479.12
IUPAC Name5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCCO)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C24H19ClFN5O3/c25-18-9-8-15(22-19(26)7-4-10-27-22)13-17(18)23(33)29-21-14-20(24(34)28-11-12-32)30-31(21)16-5-2-1-3-6-16/h1-10,13-14,32H,11-12H2,(H,28,34)(H,29,33)
InChIKeyCRRVAFLCSZOCID-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-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide (CID 118497101) is 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide is O=C(NCCO)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is CRRVAFLCSZOCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O3/c25-18-9-8-15(22-19(26)7-4-10-27-22)13-17(18)23(33)29-21-14-20(24(34)28-11-12-32)30-31(21)16-5-2-1-3-6-16/h1-10,13-14,32H,11-12H2,(H,28,34)(H,29,33).
What are the key properties of 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide?
5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]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-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118497101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).