N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide

C16H26N4O2 — CID 70749764

IUPACN-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide
SMILESCCCN1CCCn2nc(CNC(=O)C3CCOC3)cc2C1
InChIInChI=1S/C16H26N4O2/c1-2-5-19-6-3-7-20-15(11-19)9-14(18-20)10-17-16(21)13-4-8-22-12-13/h9,13H,2-8,10-12H2,1H3,(H,17,21)
InChIKeyWQNJSOZOEKLCIA-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.15
Rot. Bonds5

About N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide

N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide (PubChem CID 70749764) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide
PubChem CID70749764
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide
SMILESCCCN1CCCn2nc(CNC(=O)C3CCOC3)cc2C1
InChIInChI=1S/C16H26N4O2/c1-2-5-19-6-3-7-20-15(11-19)9-14(18-20)10-17-16(21)13-4-8-22-12-13/h9,13H,2-8,10-12H2,1H3,(H,17,21)
InChIKeyWQNJSOZOEKLCIA-UHFFFAOYSA-N
XLogP1.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide (CID 70749764) is N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide is CCCN1CCCn2nc(CNC(=O)C3CCOC3)cc2C1.
What is the InChIKey of N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide?
The InChIKey is WQNJSOZOEKLCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-5-19-6-3-7-20-15(11-19)9-14(18-20)10-17-16(21)13-4-8-22-12-13/h9,13H,2-8,10-12H2,1H3,(H,17,21).
What are the key properties of N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide?
N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 70749764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).