1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde

C13H19N3O — CID 105493367

IUPAC1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
SMILESO=Cc1nn(C2CCNCC2)c2c1CCCC2
InChIInChI=1S/C13H19N3O/c17-9-12-11-3-1-2-4-13(11)16(15-12)10-5-7-14-8-6-10/h9-10,14H,1-8H2
InChIKeyNVSJOKPCXPWVKI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.50
Rot. Bonds2

About 1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde

1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde (PubChem CID 105493367) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde.

Molecular Properties

Compound Name1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
PubChem CID105493367
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
SMILESO=Cc1nn(C2CCNCC2)c2c1CCCC2
InChIInChI=1S/C13H19N3O/c17-9-12-11-3-1-2-4-13(11)16(15-12)10-5-7-14-8-6-10/h9-10,14H,1-8H2
InChIKeyNVSJOKPCXPWVKI-UHFFFAOYSA-N
XLogP1.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.50
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

1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde
CID 105499492
1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105474398
2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105494791
1-cyclopropyl-3-methyl-4,5,6,7-tetrahydroindazole
CID 137437585
3-cyclohexyl-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587575
2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105456399
1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
CID 112711168
1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 141172641
(1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine
CID 105498003
2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105491752
1-cyclobutyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
CID 105446509
3-chloro-1-cyclobutyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 105465676

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
The IUPAC name of 1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde (CID 105493367) is 1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde.
What is the SMILES notation for 1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
The canonical SMILES for 1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde is O=Cc1nn(C2CCNCC2)c2c1CCCC2.
What is the InChIKey of 1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
The InChIKey is NVSJOKPCXPWVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-9-12-11-3-1-2-4-13(11)16(15-12)10-5-7-14-8-6-10/h9-10,14H,1-8H2.
What are the key properties of 1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde has a molecular weight of 233.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde is sourced from PubChem (CID 105493367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).