1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde

C9H13N3O — CID 83863026

IUPAC1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde
SMILESCN1CCc2c(C=O)nn(C)c2C1
InChIInChI=1S/C9H13N3O/c1-11-4-3-7-8(6-13)10-12(2)9(7)5-11/h6H,3-5H2,1-2H3
InChIKeyNKHJHQSJVRDKEU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.22
Rot. Bonds1

About 1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde

1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde (PubChem CID 83863026) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde
PubChem CID83863026
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde
SMILESCN1CCc2c(C=O)nn(C)c2C1
InChIInChI=1S/C9H13N3O/c1-11-4-3-7-8(6-13)10-12(2)9(7)5-11/h6H,3-5H2,1-2H3
InChIKeyNKHJHQSJVRDKEU-UHFFFAOYSA-N
XLogP0.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105474398
1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde
CID 83863022
6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 83862963
5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde
CID 83863028
3-fluoro-1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 145046744
2-amino-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-4-carbaldehyde
CID 83862997
1,3,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 118491671
1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
CID 112711168
1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde
CID 105467540
1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
CID 112711170
1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 83917892
7-fluoro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-2-carbaldehyde
CID 15096085

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde?
The IUPAC name of 1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde (CID 83863026) is 1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde?
The canonical SMILES for 1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde is CN1CCc2c(C=O)nn(C)c2C1.
What is the InChIKey of 1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde?
The InChIKey is NKHJHQSJVRDKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-11-4-3-7-8(6-13)10-12(2)9(7)5-11/h6H,3-5H2,1-2H3.
What are the key properties of 1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde?
1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde has a molecular weight of 179.22 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 83863026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).