N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide

C18H17FN4O — CID 46982592

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)N(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O/c1-12-7-8-20-10-16(12)18(24)23(2)11-14-9-21-22-17(14)13-3-5-15(19)6-4-13/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyVQCRRDZRECAOHD-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.19
Rot. Bonds4

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide (PubChem CID 46982592) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide
PubChem CID46982592
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)N(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O/c1-12-7-8-20-10-16(12)18(24)23(2)11-14-9-21-22-17(14)13-3-5-15(19)6-4-13/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyVQCRRDZRECAOHD-UHFFFAOYSA-N
XLogP3.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56711974
5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 24661008
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
CID 46993916
3-[3-[ethyl(methyl)amino]butyl]-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
CID 122569685
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50963732
(2S,4R)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 50973076
N-(3-amino-2,2-dimethylpropyl)-5-(4-fluorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 119656770
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 74242122
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea
CID 126437498
N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 50959051
[3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol
CID 46997901
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine
CID 171906462

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide (CID 46982592) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide is Cc1ccncc1C(=O)N(C)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide?
The InChIKey is VQCRRDZRECAOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-12-7-8-20-10-16(12)18(24)23(2)11-14-9-21-22-17(14)13-3-5-15(19)6-4-13/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.19, 4 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]methyl]-N,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 46982592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).