N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide

C21H21FN4O2 — CID 51998492

IUPACN-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NCc2cccc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C21H21FN4O2/c1-14(2)20(27)24-19-12-18(25-26(19)17-9-4-3-5-10-17)21(28)23-13-15-7-6-8-16(22)11-15/h3-12,14H,13H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyFWHAASDANMHMND-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.54
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide

N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide (PubChem CID 51998492) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
PubChem CID51998492
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NCc2cccc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C21H21FN4O2/c1-14(2)20(27)24-19-12-18(25-26(19)17-9-4-3-5-10-17)21(28)23-13-15-7-6-8-16(22)11-15/h3-12,14H,13H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyFWHAASDANMHMND-UHFFFAOYSA-N
XLogP3.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51999472
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
CID 51998508
N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
CID 51998470
N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998819
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide
CID 51998439
2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(3-fluorophenyl)methyl]propanamide
CID 53090932
5-[(2-fluorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876400
4-[(3-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46004408
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide (CID 51998492) is N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide is CC(C)C(=O)Nc1cc(C(=O)NCc2cccc(F)c2)nn1-c1ccccc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide?
The InChIKey is FWHAASDANMHMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14(2)20(27)24-19-12-18(25-26(19)17-9-4-3-5-10-17)21(28)23-13-15-7-6-8-16(22)11-15/h3-12,14H,13H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide?
N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51998492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).