N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide

C22H21N5O — CID 72872063

IUPACN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN(Cc1nccn1Cc1ccccc1)C(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C22H21N5O/c1-26(16-20-23-12-13-27(20)15-17-8-4-2-5-9-17)22(28)19-14-24-25-21(19)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyNEZWOFZFDWIUSK-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.59
Rot. Bonds6

About N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide

N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 72872063) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID72872063
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN(Cc1nccn1Cc1ccccc1)C(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C22H21N5O/c1-26(16-20-23-12-13-27(20)15-17-8-4-2-5-9-17)22(28)19-14-24-25-21(19)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyNEZWOFZFDWIUSK-UHFFFAOYSA-N
XLogP3.59
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 90651517
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide
CID 131901666
methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate
CID 43409768
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 86855483
methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 61032083
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172664117
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 119653124
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122566922
5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
CID 16596269
N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
CID 72938444

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide (CID 72872063) is N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide is CN(Cc1nccn1Cc1ccccc1)C(=O)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is NEZWOFZFDWIUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-26(16-20-23-12-13-27(20)15-17-8-4-2-5-9-17)22(28)19-14-24-25-21(19)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,24,25).
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide?
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 72872063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).