N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide

C21H19N5O — CID 17458112

IUPACN-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(NC(Cc1ncc[nH]1)c1ccccc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H19N5O/c27-21(17-7-9-18(10-8-17)26-14-4-11-24-26)25-19(15-20-22-12-13-23-20)16-5-2-1-3-6-16/h1-14,19H,15H2,(H,22,23)(H,25,27)
InChIKeyNMZRMWMSSGLKOP-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.31
Rot. Bonds6

About N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide

N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide (PubChem CID 17458112) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
PubChem CID17458112
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(NC(Cc1ncc[nH]1)c1ccccc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H19N5O/c27-21(17-7-9-18(10-8-17)26-14-4-11-24-26)25-19(15-20-22-12-13-23-20)16-5-2-1-3-6-16/h1-14,19H,15H2,(H,22,23)(H,25,27)
InChIKeyNMZRMWMSSGLKOP-UHFFFAOYSA-N
XLogP3.31
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
CID 17498145
N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 97249669
propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 46637677
N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 97066738
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide
CID 17486679
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide
CID 17454227
N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide
CID 60968230
N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
CID 43418766
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
(2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
CID 107821874

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide (CID 17458112) is N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide is O=C(NC(Cc1ncc[nH]1)c1ccccc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is NMZRMWMSSGLKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c27-21(17-7-9-18(10-8-17)26-14-4-11-24-26)25-19(15-20-22-12-13-23-20)16-5-2-1-3-6-16/h1-14,19H,15H2,(H,22,23)(H,25,27).
What are the key properties of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide?
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 357.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 17458112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).