2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide

C16H18N6O — CID 134702607

IUPAC2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESO=C(Cn1nc2ccccc2n1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H18N6O/c23-16(11-21-19-13-7-3-4-8-14(13)20-21)18-15-9-10-17-22(15)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6,11H2,(H,18,23)
InChIKeyQAOHHPKMJIQJAK-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.38
Rot. Bonds4

About 2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide

2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide (PubChem CID 134702607) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
PubChem CID134702607
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESO=C(Cn1nc2ccccc2n1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H18N6O/c23-16(11-21-19-13-7-3-4-8-14(13)20-21)18-15-9-10-17-22(15)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6,11H2,(H,18,23)
InChIKeyQAOHHPKMJIQJAK-UHFFFAOYSA-N
XLogP2.38
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
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N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
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2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 9438130
(2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910318

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide (CID 134702607) is 2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide is O=C(Cn1nc2ccccc2n1)Nc1ccnn1C1CCCC1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The InChIKey is QAOHHPKMJIQJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-16(11-21-19-13-7-3-4-8-14(13)20-21)18-15-9-10-17-22(15)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6,11H2,(H,18,23).
What are the key properties of 2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide is sourced from PubChem (CID 134702607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).