N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C22H20N4O — CID 20892655

IUPACN-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C22H20N4O/c1-17-20(21(27)23-16-18-10-4-2-5-11-18)22(25-14-8-9-15-25)26(24-17)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,23,27)
InChIKeyMGDMMPBJSPVDQB-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.90
Rot. Bonds5

About N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20892655) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20892655
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C22H20N4O/c1-17-20(21(27)23-16-18-10-4-2-5-11-18)22(25-14-8-9-15-25)26(24-17)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,23,27)
InChIKeyMGDMMPBJSPVDQB-UHFFFAOYSA-N
XLogP3.90
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892672
N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915518
3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 20892701
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915535
N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892669
N-[(2-methoxyphenyl)methyl]-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936645
N-(2-methoxyethyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915137
methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 46601601
1-(4-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915461
N-(1-benzylpiperidin-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915182
3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915134
3,5-dimethyl-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46678504

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20892655) is N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is MGDMMPBJSPVDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-17-20(21(27)23-16-18-10-4-2-5-11-18)22(25-14-8-9-15-25)26(24-17)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,23,27).
What are the key properties of N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20892655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).