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

C22H15ClFN5O2 — CID 118497161

IUPAC5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C22H15ClFN5O2/c23-16-9-8-13(20-17(24)7-4-10-26-20)11-15(16)22(31)27-19-12-18(21(25)30)28-29(19)14-5-2-1-3-6-14/h1-12H,(H2,25,30)(H,27,31)
InChIKeyWWUFQDBUWSEOPZ-UHFFFAOYSA-N
MW435.85 g/mol
LogP4.08
Rot. Bonds5

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

5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118497161) has the molecular formula C22H15ClFN5O2 and a molecular weight of 435.85 g/mol. Its IUPAC name is 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118497161
Molecular FormulaC22H15ClFN5O2
Molecular Weight435.85 g/mol
Exact Mass435.09
IUPAC Name5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C22H15ClFN5O2/c23-16-9-8-13(20-17(24)7-4-10-26-20)11-15(16)22(31)27-19-12-18(21(25)30)28-29(19)14-5-2-1-3-6-14/h1-12H,(H2,25,30)(H,27,31)
InChIKeyWWUFQDBUWSEOPZ-UHFFFAOYSA-N
XLogP4.08
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.85
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 23630919
CID 23630919
CID 118456253
CID 118456253
CID 118497137
CID 118497137
CID 10298587
CID 10298587
CID 11373520
CID 11373520
CID 11405070
CID 11405070
CID 22291687
CID 22291687
CID 23630511
CID 23630511
CID 23630512
CID 23630512
CID 23630613
CID 23630613
CID 23630811
CID 23630811
CID 23630918
CID 23630918

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 118497161) is 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide is NC(=O)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is WWUFQDBUWSEOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN5O2/c23-16-9-8-13(20-17(24)7-4-10-26-20)11-15(16)22(31)27-19-12-18(21(25)30)28-29(19)14-5-2-1-3-6-14/h1-12H,(H2,25,30)(H,27,31).
What are the key properties of 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 435.85 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118497161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).