2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide

C16H18N6O — CID 166280414

IUPAC2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1nccc1CN(C(=O)Cn1nnc2ccccc21)C1CC1
InChIInChI=1S/C16H18N6O/c1-20-13(8-9-17-20)10-21(12-6-7-12)16(23)11-22-15-5-3-2-4-14(15)18-19-22/h2-5,8-9,12H,6-7,10-11H2,1H3
InChIKeyXZEXGGVKMGDHSP-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.36
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide

2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 166280414) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
PubChem CID166280414
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1nccc1CN(C(=O)Cn1nnc2ccccc21)C1CC1
InChIInChI=1S/C16H18N6O/c1-20-13(8-9-17-20)10-21(12-6-7-12)16(23)11-22-15-5-3-2-4-14(15)18-19-22/h2-5,8-9,12H,6-7,10-11H2,1H3
InChIKeyXZEXGGVKMGDHSP-UHFFFAOYSA-N
XLogP1.36
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 51189272
2-(benzotriazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 8025561
2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide
CID 19460563
2-(benzotriazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51208421
N-cyclopropyl-N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 39533398
2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 56684344
2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 47007781
2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 166227374
2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide
CID 44753155
2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
CID 19294552
2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 166281423

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide (CID 166280414) is 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide is Cn1nccc1CN(C(=O)Cn1nnc2ccccc21)C1CC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is XZEXGGVKMGDHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-20-13(8-9-17-20)10-21(12-6-7-12)16(23)11-22-15-5-3-2-4-14(15)18-19-22/h2-5,8-9,12H,6-7,10-11H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 166280414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).