7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine

C11H20N2 — CID 169193178

IUPAC7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
SMILESCC(C)CC1CCCC2=CCNN21
InChIInChI=1S/C11H20N2/c1-9(2)8-11-5-3-4-10-6-7-12-13(10)11/h6,9,11-12H,3-5,7-8H2,1-2H3
InChIKeyGFJAAEOHVWDSOE-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.29
Rot. Bonds2

About 7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine

7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine (PubChem CID 169193178) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
PubChem CID169193178
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
SMILESCC(C)CC1CCCC2=CCNN21
InChIInChI=1S/C11H20N2/c1-9(2)8-11-5-3-4-10-6-7-12-13(10)11/h6,9,11-12H,3-5,7-8H2,1-2H3
InChIKeyGFJAAEOHVWDSOE-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-5-(4,4-difluorobutyl)-2-methyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 166655081
1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine
CID 138509930
5-Propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride
CID 141129379
2-Butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine
CID 156637625
2-Propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 166647551
4-[(2S)-2-ethenyl-6-propan-2-yl-3-propyl-1,2,3,4-tetrahydropyridin-4-yl]-3-methyldiazinane
CID 169812702
4-(2-Methyl-1,5-dihydropyrazol-3-yl)piperidine
CID 170763584
Ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 171661433
3-Cyclohexyl-2-methyl-1,5-dihydropyrazole
CID 174734952
5-Propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline
CID 141129380
4-Propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 171661434

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine (CID 169193178) is 7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine is CC(C)CC1CCCC2=CCNN21.
What is the InChIKey of 7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine?
The InChIKey is GFJAAEOHVWDSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)8-11-5-3-4-10-6-7-12-13(10)11/h6,9,11-12H,3-5,7-8H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine?
7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine has a molecular weight of 180.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 169193178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).