2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde

C10H15N3O — CID 105447284

IUPAC2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde
SMILESCC(C)n1nc2c(c1C=O)CCNC2
InChIInChI=1S/C10H15N3O/c1-7(2)13-10(6-14)8-3-4-11-5-9(8)12-13/h6-7,11H,3-5H2,1-2H3
InChIKeyWFPVTRNZOOXECL-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.92
Rot. Bonds2

About 2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde

2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde (PubChem CID 105447284) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde
PubChem CID105447284
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde
SMILESCC(C)n1nc2c(c1C=O)CCNC2
InChIInChI=1S/C10H15N3O/c1-7(2)13-10(6-14)8-3-4-11-5-9(8)12-13/h6-7,11H,3-5H2,1-2H3
InChIKeyWFPVTRNZOOXECL-UHFFFAOYSA-N
XLogP0.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbaldehyde
CID 105438150
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
CID 112711151
2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
CID 83862794
(2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 112711119
1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonitrile
CID 105444451
N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
CID 83862791
1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde
CID 105438135
2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 90162092
2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid
CID 112711077
2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 105456674
1-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856079
3-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 24873384

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde?
The IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde (CID 105447284) is 2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde?
The canonical SMILES for 2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde is CC(C)n1nc2c(c1C=O)CCNC2.
What is the InChIKey of 2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde?
The InChIKey is WFPVTRNZOOXECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)13-10(6-14)8-3-4-11-5-9(8)12-13/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde?
2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 105447284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).