1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone

C14H21N3O2 — CID 164636828

IUPAC1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone
SMILESCC1(C)CN(C(=O)C[C@H]2CCCO2)Cc2cn[nH]c21
InChIInChI=1S/C14H21N3O2/c1-14(2)9-17(8-10-7-15-16-13(10)14)12(18)6-11-4-3-5-19-11/h7,11H,3-6,8-9H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyHSPSGGHIBMKDPO-LLVKDONJSA-N
MW263.34 g/mol
LogP1.60
Rot. Bonds2

About 1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone

1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone (PubChem CID 164636828) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone
PubChem CID164636828
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone
SMILESCC1(C)CN(C(=O)C[C@H]2CCCO2)Cc2cn[nH]c21
InChIInChI=1S/C14H21N3O2/c1-14(2)9-17(8-10-7-15-16-13(10)14)12(18)6-11-4-3-5-19-11/h7,11H,3-6,8-9H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyHSPSGGHIBMKDPO-LLVKDONJSA-N
XLogP1.60
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone with MolForge

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Related Compounds

2-(5,5-difluorooxan-2-yl)-1-(7,7-dimethyl-1,4,6,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)ethanone
CID 166296419
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 114778309
(3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124512423
3,3-dimethyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione
CID 66074558
2-[2-(oxan-2-yl)acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997329
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120815605
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
1-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 170221716
7-[2-(oxolan-2-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996141
3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione
CID 66061141
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94123933
[4-(oxolan-2-ylmethoxy)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859815

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone?
The IUPAC name of 1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone (CID 164636828) is 1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone.
What is the SMILES notation for 1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone?
The canonical SMILES for 1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone is CC1(C)CN(C(=O)C[C@H]2CCCO2)Cc2cn[nH]c21.
What is the InChIKey of 1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone?
The InChIKey is HSPSGGHIBMKDPO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2)9-17(8-10-7-15-16-13(10)14)12(18)6-11-4-3-5-19-11/h7,11H,3-6,8-9H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of 1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone?
1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone is sourced from PubChem (CID 164636828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).