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

C25H19ClFN5O2 — CID 118497029

IUPAC5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide
SMILESO=C(NC1CC1)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H19ClFN5O2/c26-19-11-8-15(23-20(27)7-4-12-28-23)13-18(19)24(33)30-22-14-21(25(34)29-16-9-10-16)31-32(22)17-5-2-1-3-6-17/h1-8,11-14,16H,9-10H2,(H,29,34)(H,30,33)
InChIKeyXNNJXJZBITWQTD-UHFFFAOYSA-N
MW475.91 g/mol
LogP4.87
Rot. Bonds6

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

5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide (PubChem CID 118497029) has the molecular formula C25H19ClFN5O2 and a molecular weight of 475.91 g/mol. Its IUPAC name is 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide
PubChem CID118497029
Molecular FormulaC25H19ClFN5O2
Molecular Weight475.91 g/mol
Exact Mass475.12
IUPAC Name5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide
SMILESO=C(NC1CC1)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H19ClFN5O2/c26-19-11-8-15(23-20(27)7-4-12-28-23)13-18(19)24(33)30-22-14-21(25(34)29-16-9-10-16)31-32(22)17-5-2-1-3-6-17/h1-8,11-14,16H,9-10H2,(H,29,34)(H,30,33)
InChIKeyXNNJXJZBITWQTD-UHFFFAOYSA-N
XLogP4.87
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.91
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide (CID 118497029) is 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide is O=C(NC1CC1)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-cyclopropyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is XNNJXJZBITWQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O2/c26-19-11-8-15(23-20(27)7-4-12-28-23)13-18(19)24(33)30-22-14-21(25(34)29-16-9-10-16)31-32(22)17-5-2-1-3-6-17/h1-8,11-14,16H,9-10H2,(H,29,34)(H,30,33).
What are the key properties of 5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide?
5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 475.91 g/mol, XLogP of 4.87, 6 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]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118497029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).