N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide

C20H18N6O — CID 50973724

IUPACN-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC(Cn1cccn1)c1ccccc1)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C20H18N6O/c27-20(17-8-4-9-18(12-17)25-14-21-22-15-25)24-19(13-26-11-5-10-23-26)16-6-2-1-3-7-16/h1-12,14-15,19H,13H2,(H,24,27)
InChIKeySDPRLURAJNSPMY-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.64
Rot. Bonds6

About N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide

N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 50973724) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID50973724
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC(Cn1cccn1)c1ccccc1)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C20H18N6O/c27-20(17-8-4-9-18(12-17)25-14-21-22-15-25)24-19(13-26-11-5-10-23-26)16-6-2-1-3-7-16/h1-12,14-15,19H,13H2,(H,24,27)
InChIKeySDPRLURAJNSPMY-UHFFFAOYSA-N
XLogP2.64
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95135581
3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 99947261
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 97137368
N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide
CID 166406989
3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide
CID 97129988
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]furan-3-carboxamide
CID 97189860
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264560
(3S)-3-(4-fluorophenyl)-3-[(3-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97192648
2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 834464
3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 70770272
N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 110001285

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide (CID 50973724) is N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide is O=C(NC(Cn1cccn1)c1ccccc1)c1cccc(-n2cnnc2)c1.
What is the InChIKey of N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is SDPRLURAJNSPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c27-20(17-8-4-9-18(12-17)25-14-21-22-15-25)24-19(13-26-11-5-10-23-26)16-6-2-1-3-7-16/h1-12,14-15,19H,13H2,(H,24,27).
What are the key properties of N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide?
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 358.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 50973724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).