N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide

C17H20N6O — CID 131918728

IUPACN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)c1ccccc1-n1cncn1
InChIInChI=1S/C17H20N6O/c1-3-21(10-14-9-19-22(4-2)11-14)17(24)15-7-5-6-8-16(15)23-13-18-12-20-23/h5-9,11-13H,3-4,10H2,1-2H3
InChIKeyPTWCRBQTHJGNBM-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.15
Rot. Bonds6

About N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide

N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 131918728) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID131918728
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)c1ccccc1-n1cncn1
InChIInChI=1S/C17H20N6O/c1-3-21(10-14-9-19-22(4-2)11-14)17(24)15-7-5-6-8-16(15)23-13-18-12-20-23/h5-9,11-13H,3-4,10H2,1-2H3
InChIKeyPTWCRBQTHJGNBM-UHFFFAOYSA-N
XLogP2.15
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride
CID 50853299
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 121496520
2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide
CID 166671176
2-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]acetic acid
CID 62128174
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819670
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea
CID 131935332
(2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide
CID 95122747
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19619348
N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide
CID 86835460
1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 62126241
ethyl 2-hydroxy-2-[2-(1,2,4-triazol-1-yl)phenyl]acetate
CID 117369882
N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide
CID 91762094

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide (CID 131918728) is N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide is CCN(Cc1cnn(CC)c1)C(=O)c1ccccc1-n1cncn1.
What is the InChIKey of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is PTWCRBQTHJGNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-3-21(10-14-9-19-22(4-2)11-14)17(24)15-7-5-6-8-16(15)23-13-18-12-20-23/h5-9,11-13H,3-4,10H2,1-2H3.
What are the key properties of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide?
N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 324.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 131918728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).