3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C21H35N3 — CID 123485862

IUPAC3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESC1CCCC(Cn2nc(C3CCCCCC3)c3c2CCNC3)CC1
InChIInChI=1S/C21H35N3/c1-2-6-10-17(9-5-1)16-24-20-13-14-22-15-19(20)21(23-24)18-11-7-3-4-8-12-18/h17-18,22H,1-16H2
InChIKeyIQPMSKXDPAZBOY-UHFFFAOYSA-N
MW329.53 g/mol
LogP4.94
Rot. Bonds3

About 3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 123485862) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID123485862
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESC1CCCC(Cn2nc(C3CCCCCC3)c3c2CCNC3)CC1
InChIInChI=1S/C21H35N3/c1-2-6-10-17(9-5-1)16-24-20-13-14-22-15-19(20)21(23-24)18-11-7-3-4-8-12-18/h17-18,22H,1-16H2
InChIKeyIQPMSKXDPAZBOY-UHFFFAOYSA-N
XLogP4.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 123485862) is 3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is C1CCCC(Cn2nc(C3CCCCCC3)c3c2CCNC3)CC1.
What is the InChIKey of 3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is IQPMSKXDPAZBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3/c1-2-6-10-17(9-5-1)16-24-20-13-14-22-15-19(20)21(23-24)18-11-7-3-4-8-12-18/h17-18,22H,1-16H2.
What are the key properties of 3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 329.53 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 123485862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).