4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide

C20H27N5O3 — CID 18339517

IUPAC4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide
SMILESCCc1[nH]n2nc(C(C)C)nc2c1Oc1ccc(C(=O)NCCCOC)cc1
InChIInChI=1S/C20H27N5O3/c1-5-16-17(19-22-18(13(2)3)24-25(19)23-16)28-15-9-7-14(8-10-15)20(26)21-11-6-12-27-4/h7-10,13,23H,5-6,11-12H2,1-4H3,(H,21,26)
InChIKeyBETORLPLXXPNEF-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.30
Rot. Bonds9

About 4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide

4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide (PubChem CID 18339517) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide
PubChem CID18339517
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide
SMILESCCc1[nH]n2nc(C(C)C)nc2c1Oc1ccc(C(=O)NCCCOC)cc1
InChIInChI=1S/C20H27N5O3/c1-5-16-17(19-22-18(13(2)3)24-25(19)23-16)28-15-9-7-14(8-10-15)20(26)21-11-6-12-27-4/h7-10,13,23H,5-6,11-12H2,1-4H3,(H,21,26)
InChIKeyBETORLPLXXPNEF-UHFFFAOYSA-N
XLogP3.30
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide (CID 18339517) is 4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide is CCc1[nH]n2nc(C(C)C)nc2c1Oc1ccc(C(=O)NCCCOC)cc1.
What is the InChIKey of 4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide?
The InChIKey is BETORLPLXXPNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-5-16-17(19-22-18(13(2)3)24-25(19)23-16)28-15-9-7-14(8-10-15)20(26)21-11-6-12-27-4/h7-10,13,23H,5-6,11-12H2,1-4H3,(H,21,26).
What are the key properties of 4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide?
4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide has a molecular weight of 385.47 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl)oxy]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 18339517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).