N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide

C14H23N3O2 — CID 90615093

IUPACN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCn1ncc2c1CCOC2
InChIInChI=1S/C14H23N3O2/c1-14(2,3)8-13(18)15-5-6-17-12-4-7-19-10-11(12)9-16-17/h9H,4-8,10H2,1-3H3,(H,15,18)
InChIKeyXHBVQXYUHCXVLU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.51
Rot. Bonds4

About N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide

N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide (PubChem CID 90615093) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide
PubChem CID90615093
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCn1ncc2c1CCOC2
InChIInChI=1S/C14H23N3O2/c1-14(2,3)8-13(18)15-5-6-17-12-4-7-19-10-11(12)9-16-17/h9H,4-8,10H2,1-3H3,(H,15,18)
InChIKeyXHBVQXYUHCXVLU-UHFFFAOYSA-N
XLogP1.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide (CID 90615093) is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCn1ncc2c1CCOC2.
What is the InChIKey of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is XHBVQXYUHCXVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)8-13(18)15-5-6-17-12-4-7-19-10-11(12)9-16-17/h9H,4-8,10H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide?
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 265.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 90615093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).