1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide

C17H15FN4O2 — CID 19580370

IUPAC1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccn(COc3ccc(F)cc3)n2)n1
InChIInChI=1S/C17H15FN4O2/c1-12-3-2-4-16(19-12)20-17(23)15-9-10-22(21-15)11-24-14-7-5-13(18)6-8-14/h2-10H,11H2,1H3,(H,19,20,23)
InChIKeyBSPHGLMKDPSZST-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.01
Rot. Bonds5

About 1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide

1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 19580370) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID19580370
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccn(COc3ccc(F)cc3)n2)n1
InChIInChI=1S/C17H15FN4O2/c1-12-3-2-4-16(19-12)20-17(23)15-9-10-22(21-15)11-24-14-7-5-13(18)6-8-14/h2-10H,11H2,1H3,(H,19,20,23)
InChIKeyBSPHGLMKDPSZST-UHFFFAOYSA-N
XLogP3.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide (CID 19580370) is 1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide is Cc1cccc(NC(=O)c2ccn(COc3ccc(F)cc3)n2)n1.
What is the InChIKey of 1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is BSPHGLMKDPSZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-12-3-2-4-16(19-12)20-17(23)15-9-10-22(21-15)11-24-14-7-5-13(18)6-8-14/h2-10H,11H2,1H3,(H,19,20,23).
What are the key properties of 1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19580370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).