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

C13H21N3 — CID 83849440

IUPAC5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC1CCc2[nH]nc(C3CCCNC3)c2C1
InChIInChI=1S/C13H21N3/c1-9-4-5-12-11(7-9)13(16-15-12)10-3-2-6-14-8-10/h9-10,14H,2-8H2,1H3,(H,15,16)
InChIKeyKUSHBPLGFDOQNP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.00
Rot. Bonds1

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

5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 83849440) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID83849440
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC1CCc2[nH]nc(C3CCCNC3)c2C1
InChIInChI=1S/C13H21N3/c1-9-4-5-12-11(7-9)13(16-15-12)10-3-2-6-14-8-10/h9-10,14H,2-8H2,1H3,(H,15,16)
InChIKeyKUSHBPLGFDOQNP-UHFFFAOYSA-N
XLogP2.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 83849587
3-cyclobutyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 84647048
3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride
CID 138039911
3-(5-ethyl-2H-triazol-4-yl)piperidine
CID 84768245
3-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine
CID 82401679
1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 129407936
(7R)-7-methyl-2-[(3S)-piperidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462523
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
3-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride
CID 45480288
1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 121214685
N,N-dimethyl-4-piperidin-3-ylpyrimidin-2-amine
CID 66509672
5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 172908815

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole (CID 83849440) is 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole is CC1CCc2[nH]nc(C3CCCNC3)c2C1.
What is the InChIKey of 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is KUSHBPLGFDOQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-4-5-12-11(7-9)13(16-15-12)10-3-2-6-14-8-10/h9-10,14H,2-8H2,1H3,(H,15,16).
What are the key properties of 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole?
5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 219.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 83849440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).