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

C15H26N4O2 — CID 70709977

IUPAC3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide
SMILESCCCN1CCCn2nc(CNC(=O)CCOC)cc2C1
InChIInChI=1S/C15H26N4O2/c1-3-6-18-7-4-8-19-14(12-18)10-13(17-19)11-16-15(20)5-9-21-2/h10H,3-9,11-12H2,1-2H3,(H,16,20)
InChIKeyQHGUBAFUXMKBQA-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.15
Rot. Bonds7

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

3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide (PubChem CID 70709977) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide
PubChem CID70709977
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide
SMILESCCCN1CCCn2nc(CNC(=O)CCOC)cc2C1
InChIInChI=1S/C15H26N4O2/c1-3-6-18-7-4-8-19-14(12-18)10-13(17-19)11-16-15(20)5-9-21-2/h10H,3-9,11-12H2,1-2H3,(H,16,20)
InChIKeyQHGUBAFUXMKBQA-UHFFFAOYSA-N
XLogP1.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide?
The IUPAC name of 3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide (CID 70709977) is 3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide?
The canonical SMILES for 3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide is CCCN1CCCn2nc(CNC(=O)CCOC)cc2C1.
What is the InChIKey of 3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide?
The InChIKey is QHGUBAFUXMKBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-6-18-7-4-8-19-14(12-18)10-13(17-19)11-16-15(20)5-9-21-2/h10H,3-9,11-12H2,1-2H3,(H,16,20).
What are the key properties of 3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide?
3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide is sourced from PubChem (CID 70709977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).