1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone

C18H16N6O — CID 157153517

IUPAC1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone
SMILESCCn1nnc2cc(C(=O)CC3=NN=C(c4ccccn4)C3)ccc21
InChIInChI=1S/C18H16N6O/c1-2-24-17-7-6-12(9-16(17)22-23-24)18(25)11-13-10-15(21-20-13)14-5-3-4-8-19-14/h3-9H,2,10-11H2,1H3
InChIKeyVFWOMZRHZHLNCE-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.67
Rot. Bonds5

About 1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone

1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone (PubChem CID 157153517) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone
PubChem CID157153517
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone
SMILESCCn1nnc2cc(C(=O)CC3=NN=C(c4ccccn4)C3)ccc21
InChIInChI=1S/C18H16N6O/c1-2-24-17-7-6-12(9-16(17)22-23-24)18(25)11-13-10-15(21-20-13)14-5-3-4-8-19-14/h3-9H,2,10-11H2,1H3
InChIKeyVFWOMZRHZHLNCE-UHFFFAOYSA-N
XLogP2.67
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide
CID 30832500
[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 30855256
2-(5-pyridin-2-yl-4H-pyrazol-3-yl)pyridine
CID 58175901
3-methyl-2-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 158323944
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
1-ethyl-N-[(1R,2R)-2-methylcyclohexyl]benzotriazole-5-carboxamide
CID 26800374
N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate
CID 7805764
1-[(2-ethylphenyl)methyl]benzotriazole-5-carboxylic acid
CID 64695907
1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide
CID 18119095
[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 38387818
1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide
CID 26085870

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone?
The IUPAC name of 1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone (CID 157153517) is 1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone?
The canonical SMILES for 1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone is CCn1nnc2cc(C(=O)CC3=NN=C(c4ccccn4)C3)ccc21.
What is the InChIKey of 1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone?
The InChIKey is VFWOMZRHZHLNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-2-24-17-7-6-12(9-16(17)22-23-24)18(25)11-13-10-15(21-20-13)14-5-3-4-8-19-14/h3-9H,2,10-11H2,1H3.
What are the key properties of 1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone?
1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone has a molecular weight of 332.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone is sourced from PubChem (CID 157153517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).