N-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide

C16H13FN4O — CID 57044014

IUPACN-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN4O/c1-21(16(22)13-4-2-3-9-18-13)14-10-19-20-15(14)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,19,20)
InChIKeyQMIFTUGCNPUXGR-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.89
Rot. Bonds3

About N-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide

N-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 57044014) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide
PubChem CID57044014
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN4O/c1-21(16(22)13-4-2-3-9-18-13)14-10-19-20-15(14)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,19,20)
InChIKeyQMIFTUGCNPUXGR-UHFFFAOYSA-N
XLogP2.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide (CID 57044014) is N-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccccn1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is QMIFTUGCNPUXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-21(16(22)13-4-2-3-9-18-13)14-10-19-20-15(14)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,19,20).
What are the key properties of N-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide?
N-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 57044014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).