5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide

C17H22FN3O — CID 141244949

IUPAC5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
SMILESCC(C)CC(C)c1ccccc1NC(=O)c1cnn(C)c1F
InChIInChI=1S/C17H22FN3O/c1-11(2)9-12(3)13-7-5-6-8-15(13)20-17(22)14-10-19-21(4)16(14)18/h5-8,10-12H,9H2,1-4H3,(H,20,22)
InChIKeyVWBYBFSRXFXZOY-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.96
Rot. Bonds5

About 5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide

5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 141244949) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
PubChem CID141244949
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
SMILESCC(C)CC(C)c1ccccc1NC(=O)c1cnn(C)c1F
InChIInChI=1S/C17H22FN3O/c1-11(2)9-12(3)13-7-5-6-8-15(13)20-17(22)14-10-19-21(4)16(14)18/h5-8,10-12H,9H2,1-4H3,(H,20,22)
InChIKeyVWBYBFSRXFXZOY-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide
CID 123240476
2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-5-(trifluoromethyl)triazole-4-carboxamide
CID 142672745
N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide
CID 141301148
5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide
CID 142208045
N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide
CID 6468411
3-chloro-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide
CID 143042044
3-chloro-N-[2-(4-methylpentan-2-yl)phenyl]thiophene-2-carboxamide
CID 86048853
N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 80710438
(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane;5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
CID 11842639
N-[2-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120132
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62918927
1,4-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrrole-3-carbothioamide
CID 21051584

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide (CID 141244949) is 5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is CC(C)CC(C)c1ccccc1NC(=O)c1cnn(C)c1F.
What is the InChIKey of 5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is VWBYBFSRXFXZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-11(2)9-12(3)13-7-5-6-8-15(13)20-17(22)14-10-19-21(4)16(14)18/h5-8,10-12H,9H2,1-4H3,(H,20,22).
What are the key properties of 5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?
5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 141244949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).