N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide

C23H24N6O2 — CID 51998470

IUPACN-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NCCn2cnc3ccccc32)nn1-c1ccccc1
InChIInChI=1S/C23H24N6O2/c1-16(2)22(30)26-21-14-19(27-29(21)17-8-4-3-5-9-17)23(31)24-12-13-28-15-25-18-10-6-7-11-20(18)28/h3-11,14-16H,12-13H2,1-2H3,(H,24,31)(H,26,30)
InChIKeyPHYRYQSLBMEKOB-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.25
Rot. Bonds7

About N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide

N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide (PubChem CID 51998470) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
PubChem CID51998470
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NCCn2cnc3ccccc32)nn1-c1ccccc1
InChIInChI=1S/C23H24N6O2/c1-16(2)22(30)26-21-14-19(27-29(21)17-8-4-3-5-9-17)23(31)24-12-13-28-15-25-18-10-6-7-11-20(18)28/h3-11,14-16H,12-13H2,1-2H3,(H,24,31)(H,26,30)
InChIKeyPHYRYQSLBMEKOB-UHFFFAOYSA-N
XLogP3.25
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
CID 51998508
N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
CID 51998492
N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 47928469
N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide
CID 71705073
2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid
CID 154887192
5-acetamido-N-[2-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51999490
N-[2-(benzimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 51091236
N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55569976
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide
CID 51998439
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228
5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide
CID 51999451

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide (CID 51998470) is N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide is CC(C)C(=O)Nc1cc(C(=O)NCCn2cnc3ccccc32)nn1-c1ccccc1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide?
The InChIKey is PHYRYQSLBMEKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-16(2)22(30)26-21-14-19(27-29(21)17-8-4-3-5-9-17)23(31)24-12-13-28-15-25-18-10-6-7-11-20(18)28/h3-11,14-16H,12-13H2,1-2H3,(H,24,31)(H,26,30).
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide?
N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51998470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).