2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole

C10H12N4O — CID 96618589

IUPAC2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole
SMILESCc1c2c(nn1-c1ncco1)CNCC2
InChIInChI=1S/C10H12N4O/c1-7-8-2-3-11-6-9(8)13-14(7)10-12-4-5-15-10/h4-5,11H,2-3,6H2,1H3
InChIKeyHMJKKCCQOSIMQA-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.81
Rot. Bonds1

About 2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole

2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole (PubChem CID 96618589) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole
PubChem CID96618589
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole
SMILESCc1c2c(nn1-c1ncco1)CNCC2
InChIInChI=1S/C10H12N4O/c1-7-8-2-3-11-6-9(8)13-14(7)10-12-4-5-15-10/h4-5,11H,2-3,6H2,1H3
InChIKeyHMJKKCCQOSIMQA-UHFFFAOYSA-N
XLogP0.81
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 98009854
2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 172720249
3-methyl-2-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-5H-pyrazolo[3,4-c]pyridin-4-one
CID 96599118
2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole
CID 151453057
4-(2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl)morpholine
CID 83863104
9-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene
CID 59226006
2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 105431907
4-ethenyl-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 74788088
3-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483907
3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483663
(2-ethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl)methanol
CID 105439524
3-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483592

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole?
The IUPAC name of 2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole (CID 96618589) is 2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole is Cc1c2c(nn1-c1ncco1)CNCC2.
What is the InChIKey of 2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole?
The InChIKey is HMJKKCCQOSIMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-8-2-3-11-6-9(8)13-14(7)10-12-4-5-15-10/h4-5,11H,2-3,6H2,1H3.
What are the key properties of 2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole?
2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole has a molecular weight of 204.23 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole is sourced from PubChem (CID 96618589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).