5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one

C16H18N2O2 — CID 118706954

IUPAC5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
SMILESCC1(C)CCn2nc(OCc3ccccc3)cc2C1=O
InChIInChI=1S/C16H18N2O2/c1-16(2)8-9-18-13(15(16)19)10-14(17-18)20-11-12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3
InChIKeyNAZKXYZVTNBTGD-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.07
Rot. Bonds3

About 5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one

5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one (PubChem CID 118706954) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one.

Molecular Properties

Compound Name5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
PubChem CID118706954
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
SMILESCC1(C)CCn2nc(OCc3ccccc3)cc2C1=O
InChIInChI=1S/C16H18N2O2/c1-16(2)8-9-18-13(15(16)19)10-14(17-18)20-11-12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3
InChIKeyNAZKXYZVTNBTGD-UHFFFAOYSA-N
XLogP3.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cfm-1571
CID 9844347
2-[6-(3-methoxyphenyl)-4-oxo-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
CID 49865463
2-(phenoxymethyl)-6,7-dihydropyrazolo(1,5-a)pyridin-4(5H)-one
CID 70660712
2-(benzyloxy)-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 72714783
2-(3,5-Dimethyl-1-pyrazolyl)-1-[3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidinyl]ethanone
CID 16190091
{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(3-isopropoxyphenyl)methanone
CID 16191881
2-[(3-Methylphenyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814128
5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 118706137
5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 118706138
5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 118706139
5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 118706140
5,5-Dimethyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
CID 118706757

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
The IUPAC name of 5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one (CID 118706954) is 5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one.
What is the SMILES notation for 5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
The canonical SMILES for 5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one is CC1(C)CCn2nc(OCc3ccccc3)cc2C1=O.
What is the InChIKey of 5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
The InChIKey is NAZKXYZVTNBTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2)8-9-18-13(15(16)19)10-14(17-18)20-11-12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one has a molecular weight of 270.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one is sourced from PubChem (CID 118706954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).