1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide

C20H20N6O — CID 41413004

IUPAC1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCCc3ccc(-n4cccn4)cc3)ccc21
InChIInChI=1S/C20H20N6O/c1-2-25-19-9-6-16(14-18(19)23-24-25)20(27)21-12-10-15-4-7-17(8-5-15)26-13-3-11-22-26/h3-9,11,13-14H,2,10,12H2,1H3,(H,21,27)
InChIKeyZPBKYCUVKQEZLG-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.61
Rot. Bonds6

About 1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide

1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide (PubChem CID 41413004) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide
PubChem CID41413004
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCCc3ccc(-n4cccn4)cc3)ccc21
InChIInChI=1S/C20H20N6O/c1-2-25-19-9-6-16(14-18(19)23-24-25)20(27)21-12-10-15-4-7-17(8-5-15)26-13-3-11-22-26/h3-9,11,13-14H,2,10,12H2,1H3,(H,21,27)
InChIKeyZPBKYCUVKQEZLG-UHFFFAOYSA-N
XLogP2.61
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 26775714
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
4-methyl-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412921
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
CID 103918979
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate
CID 7805737
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081852
1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
CID 65031697
1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide
CID 60566120

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide (CID 41413004) is 1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)NCCc3ccc(-n4cccn4)cc3)ccc21.
What is the InChIKey of 1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide?
The InChIKey is ZPBKYCUVKQEZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-2-25-19-9-6-16(14-18(19)23-24-25)20(27)21-12-10-15-4-7-17(8-5-15)26-13-3-11-22-26/h3-9,11,13-14H,2,10,12H2,1H3,(H,21,27).
What are the key properties of 1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide?
1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 41413004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).