5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide

C18H17FN4O3 — CID 56759685

IUPAC5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC(CO)c1cccnc1)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C18H17FN4O3/c19-14-5-1-2-6-17(14)26-11-13-8-15(23-22-13)18(25)21-16(10-24)12-4-3-7-20-9-12/h1-9,16,24H,10-11H2,(H,21,25)(H,22,23)
InChIKeyCEGQMNVPLNDKPP-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.99
Rot. Bonds7

About 5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide

5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56759685) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID56759685
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC(CO)c1cccnc1)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C18H17FN4O3/c19-14-5-1-2-6-17(14)26-11-13-8-15(23-22-13)18(25)21-16(10-24)12-4-3-7-20-9-12/h1-9,16,24H,10-11H2,(H,21,25)(H,22,23)
InChIKeyCEGQMNVPLNDKPP-UHFFFAOYSA-N
XLogP1.99
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide (CID 56759685) is 5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide is O=C(NC(CO)c1cccnc1)c1cc(COc2ccccc2F)[nH]n1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CEGQMNVPLNDKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c19-14-5-1-2-6-17(14)26-11-13-8-15(23-22-13)18(25)21-16(10-24)12-4-3-7-20-9-12/h1-9,16,24H,10-11H2,(H,21,25)(H,22,23).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide?
5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56759685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).