5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide

C20H21FN4O — CID 110336606

IUPAC5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide
SMILESCc1ccc(F)c(-c2cc(C(=O)N(C)CCc3ccncc3)nn2C)c1
InChIInChI=1S/C20H21FN4O/c1-14-4-5-17(21)16(12-14)19-13-18(23-25(19)3)20(26)24(2)11-8-15-6-9-22-10-7-15/h4-7,9-10,12-13H,8,11H2,1-3H3
InChIKeyXXVFIBLTXOGUPJ-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.24
Rot. Bonds5

About 5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide

5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 110336606) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID110336606
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide
SMILESCc1ccc(F)c(-c2cc(C(=O)N(C)CCc3ccncc3)nn2C)c1
InChIInChI=1S/C20H21FN4O/c1-14-4-5-17(21)16(12-14)19-13-18(23-25(19)3)20(26)24(2)11-8-15-6-9-22-10-7-15/h4-7,9-10,12-13H,8,11H2,1-3H3
InChIKeyXXVFIBLTXOGUPJ-UHFFFAOYSA-N
XLogP3.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336452
3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 39372172
6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372375
5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60913362
N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 110852590
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
4-amino-N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide
CID 66123007
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
N-ethyl-5-(furan-2-yl)-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide
CID 110678671
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689492
5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110762978
3-[methyl(2-pyridin-4-ylethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369258

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide (CID 110336606) is 5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide is Cc1ccc(F)c(-c2cc(C(=O)N(C)CCc3ccncc3)nn2C)c1.
What is the InChIKey of 5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is XXVFIBLTXOGUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-14-4-5-17(21)16(12-14)19-13-18(23-25(19)3)20(26)24(2)11-8-15-6-9-22-10-7-15/h4-7,9-10,12-13H,8,11H2,1-3H3.
What are the key properties of 5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide?
5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110336606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).