2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide

C23H22N6O — CID 52913614

IUPAC2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1
InChIInChI=1S/C23H22N6O/c30-23(14-28-21-4-2-1-3-19(21)25-27-28)24-17-9-11-18(12-10-17)29-22(16-7-8-16)13-20(26-29)15-5-6-15/h1-4,9-13,15-16H,5-8,14H2,(H,24,30)
InChIKeyWAJHNVZTIHWGQY-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.01
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide

2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide (PubChem CID 52913614) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide
PubChem CID52913614
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1
InChIInChI=1S/C23H22N6O/c30-23(14-28-21-4-2-1-3-19(21)25-27-28)24-17-9-11-18(12-10-17)29-22(16-7-8-16)13-20(26-29)15-5-6-15/h1-4,9-13,15-16H,5-8,14H2,(H,24,30)
InChIKeyWAJHNVZTIHWGQY-UHFFFAOYSA-N
XLogP4.01
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide (CID 52913614) is 2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide is O=C(Cn1nnc2ccccc21)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide?
The InChIKey is WAJHNVZTIHWGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c30-23(14-28-21-4-2-1-3-19(21)25-27-28)24-17-9-11-18(12-10-17)29-22(16-7-8-16)13-20(26-29)15-5-6-15/h1-4,9-13,15-16H,5-8,14H2,(H,24,30).
What are the key properties of 2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide?
2-(benzotriazol-1-yl)-N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide has a molecular weight of 398.47 g/mol, XLogP of 4.01, 6 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-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 52913614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).