2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide

C16H20N6O — CID 134709995

IUPAC2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide
SMILESCCCn1nc(C)c(NC(=O)Cn2nc3ccccc3n2)c1C
InChIInChI=1S/C16H20N6O/c1-4-9-21-12(3)16(11(2)18-21)17-15(23)10-22-19-13-7-5-6-8-14(13)20-22/h5-8H,4,9-10H2,1-3H3,(H,17,23)
InChIKeyGDKNCMJTGGOKRQ-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.29
Rot. Bonds5

About 2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide

2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide (PubChem CID 134709995) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide
PubChem CID134709995
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide
SMILESCCCn1nc(C)c(NC(=O)Cn2nc3ccccc3n2)c1C
InChIInChI=1S/C16H20N6O/c1-4-9-21-12(3)16(11(2)18-21)17-15(23)10-22-19-13-7-5-6-8-14(13)20-22/h5-8H,4,9-10H2,1-3H3,(H,17,23)
InChIKeyGDKNCMJTGGOKRQ-UHFFFAOYSA-N
XLogP2.29
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide (CID 134709995) is 2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide is CCCn1nc(C)c(NC(=O)Cn2nc3ccccc3n2)c1C.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide?
The InChIKey is GDKNCMJTGGOKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-4-9-21-12(3)16(11(2)18-21)17-15(23)10-22-19-13-7-5-6-8-14(13)20-22/h5-8H,4,9-10H2,1-3H3,(H,17,23).
What are the key properties of 2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide?
2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide has a molecular weight of 312.38 g/mol, XLogP of 2.29, 5 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-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide is sourced from PubChem (CID 134709995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).