3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide

C18H20ClN5O3 — CID 166288386

IUPAC3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide
SMILESCN1CCn2ncc(CNC(=O)N3CC(Oc4ccc(Cl)cc4)C3)c2C1=O
InChIInChI=1S/C18H20ClN5O3/c1-22-6-7-24-16(17(22)25)12(9-21-24)8-20-18(26)23-10-15(11-23)27-14-4-2-13(19)3-5-14/h2-5,9,15H,6-8,10-11H2,1H3,(H,20,26)
InChIKeyFYPQELKMHIQUGF-UHFFFAOYSA-N
MW389.84 g/mol
LogP1.59
Rot. Bonds4

About 3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide

3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide (PubChem CID 166288386) has the molecular formula C18H20ClN5O3 and a molecular weight of 389.84 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide
PubChem CID166288386
Molecular FormulaC18H20ClN5O3
Molecular Weight389.84 g/mol
Exact Mass389.13
IUPAC Name3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide
SMILESCN1CCn2ncc(CNC(=O)N3CC(Oc4ccc(Cl)cc4)C3)c2C1=O
InChIInChI=1S/C18H20ClN5O3/c1-22-6-7-24-16(17(22)25)12(9-21-24)8-20-18(26)23-10-15(11-23)27-14-4-2-13(19)3-5-14/h2-5,9,15H,6-8,10-11H2,1H3,(H,20,26)
InChIKeyFYPQELKMHIQUGF-UHFFFAOYSA-N
XLogP1.59
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide (CID 166288386) is 3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide is CN1CCn2ncc(CNC(=O)N3CC(Oc4ccc(Cl)cc4)C3)c2C1=O.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide?
The InChIKey is FYPQELKMHIQUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3/c1-22-6-7-24-16(17(22)25)12(9-21-24)8-20-18(26)23-10-15(11-23)27-14-4-2-13(19)3-5-14/h2-5,9,15H,6-8,10-11H2,1H3,(H,20,26).
What are the key properties of 3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide?
3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 166288386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).