N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C24H21FN4O2 — CID 43017542

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1F
InChIInChI=1S/C24H21FN4O2/c1-28(15-17-10-11-22(31-2)21(25)13-17)24(30)20-16-29(19-8-4-3-5-9-19)27-23(20)18-7-6-12-26-14-18/h3-14,16H,15H2,1-2H3
InChIKeyOOEJYFJOBMAOFF-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.35
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 43017542) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID43017542
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1F
InChIInChI=1S/C24H21FN4O2/c1-28(15-17-10-11-22(31-2)21(25)13-17)24(30)20-16-29(19-8-4-3-5-9-19)27-23(20)18-7-6-12-26-14-18/h3-14,16H,15H2,1-2H3
InChIKeyOOEJYFJOBMAOFF-UHFFFAOYSA-N
XLogP4.35
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17411184
N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 17392908
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 22110546
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 7535671
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 31366325
3-(3,4-dimethoxyphenyl)-N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 18114147
3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66464622
3-fluoro-4-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8962106
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 40815392
3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 55358256
methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 2381703

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 43017542) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is COc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is OOEJYFJOBMAOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-28(15-17-10-11-22(31-2)21(25)13-17)24(30)20-16-29(19-8-4-3-5-9-19)27-23(20)18-7-6-12-26-14-18/h3-14,16H,15H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 43017542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).