N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide

C21H21FN4O2 — CID 51998819

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)N(C)Cc2cccc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C21H21FN4O2/c1-3-20(27)23-19-13-18(24-26(19)17-10-5-4-6-11-17)21(28)25(2)14-15-8-7-9-16(22)12-15/h4-13H,3,14H2,1-2H3,(H,23,27)
InChIKeyQCVJMXDZYHTSIS-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.63
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide

N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide (PubChem CID 51998819) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
PubChem CID51998819
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)N(C)Cc2cccc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C21H21FN4O2/c1-3-20(27)23-19-13-18(24-26(19)17-10-5-4-6-11-17)21(28)25(2)14-15-8-7-9-16(22)12-15/h4-13H,3,14H2,1-2H3,(H,23,27)
InChIKeyQCVJMXDZYHTSIS-UHFFFAOYSA-N
XLogP3.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
CID 51999403
5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51999472
1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 86844397
N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
CID 51998492
N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55754908
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-naphthalen-1-yl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998761
N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62238406
N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998872
N-[(3-fluorophenyl)methyl]-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62239255
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62235425
N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18116117

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide (CID 51998819) is N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide is CCC(=O)Nc1cc(C(=O)N(C)Cc2cccc(F)c2)nn1-c1ccccc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide?
The InChIKey is QCVJMXDZYHTSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-3-20(27)23-19-13-18(24-26(19)17-10-5-4-6-11-17)21(28)25(2)14-15-8-7-9-16(22)12-15/h4-13H,3,14H2,1-2H3,(H,23,27).
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide?
N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 51998819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).