3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide

C17H15FN4O — CID 46948107

IUPAC3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(F)cc(-c2cc(C(=O)NCc3ccccn3)[nH]n2)c1
InChIInChI=1S/C17H15FN4O/c1-11-6-12(8-13(18)7-11)15-9-16(22-21-15)17(23)20-10-14-4-2-3-5-19-14/h2-9H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyVCZJJBNEPVHNGA-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.85
Rot. Bonds4

About 3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 46948107) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID46948107
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(F)cc(-c2cc(C(=O)NCc3ccccn3)[nH]n2)c1
InChIInChI=1S/C17H15FN4O/c1-11-6-12(8-13(18)7-11)15-9-16(22-21-15)17(23)20-10-14-4-2-3-5-19-14/h2-9H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyVCZJJBNEPVHNGA-UHFFFAOYSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 46948107) is 3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide is Cc1cc(F)cc(-c2cc(C(=O)NCc3ccccn3)[nH]n2)c1.
What is the InChIKey of 3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VCZJJBNEPVHNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-11-6-12(8-13(18)7-11)15-9-16(22-21-15)17(23)20-10-14-4-2-3-5-19-14/h2-9H,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46948107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).