5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde

C14H23N3O — CID 11694483

IUPAC5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCCCN(CCC)C1CCn2ncc(C=O)c2C1
InChIInChI=1S/C14H23N3O/c1-3-6-16(7-4-2)13-5-8-17-14(9-13)12(11-18)10-15-17/h10-11,13H,3-9H2,1-2H3
InChIKeyGFJQMJYOLGYPBB-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.13
Rot. Bonds6

About 5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde

5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 11694483) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID11694483
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCCCN(CCC)C1CCn2ncc(C=O)c2C1
InChIInChI=1S/C14H23N3O/c1-3-6-16(7-4-2)13-5-8-17-14(9-13)12(11-18)10-15-17/h10-11,13H,3-9H2,1-2H3
InChIKeyGFJQMJYOLGYPBB-UHFFFAOYSA-N
XLogP2.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.13
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-Methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 2765796
1-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 14435009
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 19371779
3-Cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde
CID 19614693
3-Cyclopropyl-1-ethyl-1H-pyrazole-4-carbaldehyde
CID 19621360
3-ethyl-1-methyl-1H-pyrazole-4-carbaldehyde
CID 23005658
5-ethyl-1-methyl-1H-pyrazole-4-carbaldehyde
CID 23005659
2-Methyl-2,5,6,7-tetrahydro-4H-indazol-4-one
CID 24853638
1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CID 39869082
3-cyclohexyl-1-methyl-1H-pyrazole-4-carbaldehyde
CID 43805600
1-Methyl-5-(1-methylethyl)-1H-pyrazole-4-carboxaldehyde
CID 45095868
5-Cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde
CID 51072283

Frequently Asked Questions

What is the IUPAC name of 5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 11694483) is 5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde is CCCN(CCC)C1CCn2ncc(C=O)c2C1.
What is the InChIKey of 5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is GFJQMJYOLGYPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-6-16(7-4-2)13-5-8-17-14(9-13)12(11-18)10-15-17/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde?
5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 249.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 11694483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).