N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide

C20H18N6O — CID 95130579

IUPACN-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1ccccc1-n1cccn1
InChIInChI=1S/C20H18N6O/c1-15(18-5-2-3-6-19(18)26-12-4-11-23-26)24-20(27)16-7-9-17(10-8-16)25-13-21-22-14-25/h2-15H,1H3,(H,24,27)/t15-/m1/s1
InChIKeyGIIJSBJEAUPJDR-OAHLLOKOSA-N
MW358.41 g/mol
LogP2.94
Rot. Bonds5

About N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide

N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 95130579) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID95130579
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1ccccc1-n1cccn1
InChIInChI=1S/C20H18N6O/c1-15(18-5-2-3-6-19(18)26-12-4-11-23-26)24-20(27)16-7-9-17(10-8-16)25-13-21-22-14-25/h2-15H,1H3,(H,24,27)/t15-/m1/s1
InChIKeyGIIJSBJEAUPJDR-OAHLLOKOSA-N
XLogP2.94
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 50967869
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 95130577
4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide
CID 72879633
1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 131925735
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 91773190
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide
CID 131924136
2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 72873584
6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide
CID 90649963
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 124777004

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide (CID 95130579) is N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide is C[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1ccccc1-n1cccn1.
What is the InChIKey of N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is GIIJSBJEAUPJDR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H18N6O/c1-15(18-5-2-3-6-19(18)26-12-4-11-23-26)24-20(27)16-7-9-17(10-8-16)25-13-21-22-14-25/h2-15H,1H3,(H,24,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide?
N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 358.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 95130579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).