N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide

C21H18N4O — CID 135482219

IUPACN-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2[nH]ncc2-c2ccccc2)c[nH]1
InChIInChI=1S/C21H18N4O/c26-21(23-12-15-7-3-1-4-8-15)19-11-17(13-22-19)20-18(14-24-25-20)16-9-5-2-6-10-16/h1-11,13-14,22H,12H2,(H,23,26)(H,24,25)
InChIKeyFXQGLINGMLDGJJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.00
Rot. Bonds5

About N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide

N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide (PubChem CID 135482219) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
PubChem CID135482219
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2[nH]ncc2-c2ccccc2)c[nH]1
InChIInChI=1S/C21H18N4O/c26-21(23-12-15-7-3-1-4-8-15)19-11-17(13-22-19)20-18(14-24-25-20)16-9-5-2-6-10-16/h1-11,13-14,22H,12H2,(H,23,26)(H,24,25)
InChIKeyFXQGLINGMLDGJJ-UHFFFAOYSA-N
XLogP4.00
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrole-2-carboxamide
CID 135449325
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
N-benzyl-2H-triazole-4-carboxamide
CID 47334751
N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 118663086
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
N-benzyl-4-(2-cyanoacetyl)-1H-pyrrole-2-carboxamide;ethane
CID 142162011
6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide
CID 121498985
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 58302750
4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen
CID 144664765
N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CID 3754901

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide (CID 135482219) is N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide is O=C(NCc1ccccc1)c1cc(-c2[nH]ncc2-c2ccccc2)c[nH]1.
What is the InChIKey of N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is FXQGLINGMLDGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21(23-12-15-7-3-1-4-8-15)19-11-17(13-22-19)20-18(14-24-25-20)16-9-5-2-6-10-16/h1-11,13-14,22H,12H2,(H,23,26)(H,24,25).
What are the key properties of N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135482219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).