N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C22H19FN4O — CID 20915518

IUPACN-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C22H19FN4O/c1-16-20(21(28)24-15-17-7-3-2-4-8-17)22(26-13-5-6-14-26)27(25-16)19-11-9-18(23)10-12-19/h2-14H,15H2,1H3,(H,24,28)
InChIKeyOHBPFKJHVOKPDQ-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.04
Rot. Bonds5

About N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20915518) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20915518
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC NameN-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C22H19FN4O/c1-16-20(21(28)24-15-17-7-3-2-4-8-17)22(26-13-5-6-14-26)27(25-16)19-11-9-18(23)10-12-19/h2-14H,15H2,1H3,(H,24,28)
InChIKeyOHBPFKJHVOKPDQ-UHFFFAOYSA-N
XLogP4.04
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892655
3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892672
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915535
1-(4-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915461
N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892669
3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 20892701
1-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915543
N-(3-fluorophenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915450
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915528
N-(2-methoxyethyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915137
1-(4-fluorophenyl)-3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 25492307

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20915518) is N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is OHBPFKJHVOKPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-16-20(21(28)24-15-17-7-3-2-4-8-17)22(26-13-5-6-14-26)27(25-16)19-11-9-18(23)10-12-19/h2-14H,15H2,1H3,(H,24,28).
What are the key properties of N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20915518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).