3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole

C12H19N3 — CID 18187781

IUPAC3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESC1CCc2c(C3CCNCC3)n[nH]c2C1
InChIInChI=1S/C12H19N3/c1-2-4-11-10(3-1)12(15-14-11)9-5-7-13-8-6-9/h9,13H,1-8H2,(H,14,15)
InChIKeyGCURBIOMCCEKBN-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.76
Rot. Bonds1

About 3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole

3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 18187781) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID18187781
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESC1CCc2c(C3CCNCC3)n[nH]c2C1
InChIInChI=1S/C12H19N3/c1-2-4-11-10(3-1)12(15-14-11)9-5-7-13-8-6-9/h9,13H,1-8H2,(H,14,15)
InChIKeyGCURBIOMCCEKBN-UHFFFAOYSA-N
XLogP1.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pentyl-4,5,6,7-tetrahydro-1H-indazole
CID 585962
3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
CID 852826
3-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 312127
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3163200
3-[3-(propan-2-yl)-1H-pyrazol-5-yl]piperidine
CID 71695345
3-methyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 84716462
3-Isopropyl-4,5,6,7-tetrahydro-1H-indazole
CID 5226481
2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane
CID 71695369
3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-amine
CID 82417292
2,2-difluoro-2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethan-1-amine
CID 119031270
(4,5,6,7-tetrahydro-2H-indazol-3-yl)methanamine dihydrochloride
CID 121552934

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole (CID 18187781) is 3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole is C1CCc2c(C3CCNCC3)n[nH]c2C1.
What is the InChIKey of 3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is GCURBIOMCCEKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-4-11-10(3-1)12(15-14-11)9-5-7-13-8-6-9/h9,13H,1-8H2,(H,14,15).
What are the key properties of 3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole?
3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 205.30 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 18187781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).