2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide

C15H18N6O — CID 19468957

IUPAC2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1c(C(C)NC(=O)Cn2nnc3ccccc32)cnn1C
InChIInChI=1S/C15H18N6O/c1-10(12-8-16-20(3)11(12)2)17-15(22)9-21-14-7-5-4-6-13(14)18-19-21/h4-8,10H,9H2,1-3H3,(H,17,22)
InChIKeyQOTSQDKKTAFANU-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.35
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide

2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 19468957) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID19468957
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1c(C(C)NC(=O)Cn2nnc3ccccc32)cnn1C
InChIInChI=1S/C15H18N6O/c1-10(12-8-16-20(3)11(12)2)17-15(22)9-21-14-7-5-4-6-13(14)18-19-21/h4-8,10H,9H2,1-3H3,(H,17,22)
InChIKeyQOTSQDKKTAFANU-UHFFFAOYSA-N
XLogP1.35
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 8025586
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19469013
2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 51189619
2-(benzotriazol-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8025608
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342132
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 18205918
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51077850
1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624217
(3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide
CID 94800927
(3R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide
CID 94800929

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide (CID 19468957) is 2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide is Cc1c(C(C)NC(=O)Cn2nnc3ccccc32)cnn1C.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is QOTSQDKKTAFANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-10(12-8-16-20(3)11(12)2)17-15(22)9-21-14-7-5-4-6-13(14)18-19-21/h4-8,10H,9H2,1-3H3,(H,17,22).
What are the key properties of 2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide?
2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 298.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 19468957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).