N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide

C21H27N3O3 — CID 131681466

IUPACN-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCC1OCCc2cn(Cc3ccccc3)nc21
InChIInChI=1S/C21H27N3O3/c25-20(12-16-6-9-26-10-7-16)22-13-19-21-18(8-11-27-19)15-24(23-21)14-17-4-2-1-3-5-17/h1-5,15-16,19H,6-14H2,(H,22,25)
InChIKeyRBDYOPJHVFTRSS-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.48
Rot. Bonds6

About N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide

N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide (PubChem CID 131681466) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide
PubChem CID131681466
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCC1OCCc2cn(Cc3ccccc3)nc21
InChIInChI=1S/C21H27N3O3/c25-20(12-16-6-9-26-10-7-16)22-13-19-21-18(8-11-27-19)15-24(23-21)14-17-4-2-1-3-5-17/h1-5,15-16,19H,6-14H2,(H,22,25)
InChIKeyRBDYOPJHVFTRSS-UHFFFAOYSA-N
XLogP2.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxane-4-carboxamide
CID 131681343
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 131681483
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-phenylacetamide;2,2,2-trifluoroacetic acid
CID 155866200
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid
CID 155868477
1-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 131682668
2-acetamido-N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155866234
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155867834
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 131681349
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-hydroxy-2,2-dimethylpropanamide
CID 131681480
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 131681306
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(2-fluorophenyl)acetamide;2,2,2-trifluoroacetic acid
CID 155866201
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1-fluorocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155865008

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide (CID 131681466) is N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)NCC1OCCc2cn(Cc3ccccc3)nc21.
What is the InChIKey of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is RBDYOPJHVFTRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-20(12-16-6-9-26-10-7-16)22-13-19-21-18(8-11-27-19)15-24(23-21)14-17-4-2-1-3-5-17/h1-5,15-16,19H,6-14H2,(H,22,25).
What are the key properties of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide?
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 131681466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).