3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide

C17H15FN4O3 — CID 46942499

IUPAC3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC)n[nH]2)cn1
InChIInChI=1S/C17H15FN4O3/c1-24-15-5-3-10(18)7-12(15)13-8-14(22-21-13)17(23)20-11-4-6-16(25-2)19-9-11/h3-9H,1-2H3,(H,20,23)(H,21,22)
InChIKeyBSWXJFWCBOCIJH-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.88
Rot. Bonds5

About 3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide

3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide (PubChem CID 46942499) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
PubChem CID46942499
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC)n[nH]2)cn1
InChIInChI=1S/C17H15FN4O3/c1-24-15-5-3-10(18)7-12(15)13-8-14(22-21-13)17(23)20-11-4-6-16(25-2)19-9-11/h3-9H,1-2H3,(H,20,23)(H,21,22)
InChIKeyBSWXJFWCBOCIJH-UHFFFAOYSA-N
XLogP2.88
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide (CID 46942499) is 3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide is COc1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC)n[nH]2)cn1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BSWXJFWCBOCIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-24-15-5-3-10(18)7-12(15)13-8-14(22-21-13)17(23)20-11-4-6-16(25-2)19-9-11/h3-9H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide?
3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46942499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).