ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine

C11H20N2 — CID 145221540

IUPACethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
SMILESCC.Cc1cnn2c1CCCCC2
InChIInChI=1S/C9H14N2.C2H6/c1-8-7-10-11-6-4-2-3-5-9(8)11;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyKXNAAHYXTLETQM-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.94
Rot. Bonds

About ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine

ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine (PubChem CID 145221540) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine.

Molecular Properties

Compound Nameethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
PubChem CID145221540
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
SMILESCC.Cc1cnn2c1CCCCC2
InChIInChI=1S/C9H14N2.C2H6/c1-8-7-10-11-6-4-2-3-5-9(8)11;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyKXNAAHYXTLETQM-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 14145814
ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 142324749
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid
CID 66764821
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-thiol
CID 142909383
CID 163427439
CID 163427439
3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 122129707
4-methyl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine
CID 89493420
2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole
CID 164547270
ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 145221524
3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine
CID 138580592
3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 163670178
1-methyl-5,6,7,8-tetrahydroindolizine
CID 71512350

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The IUPAC name of ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine (CID 145221540) is ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine.
What is the SMILES notation for ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The canonical SMILES for ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine is CC.Cc1cnn2c1CCCCC2.
What is the InChIKey of ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The InChIKey is KXNAAHYXTLETQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-8-7-10-11-6-4-2-3-5-9(8)11;1-2/h7H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine has a molecular weight of 180.29 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine is sourced from PubChem (CID 145221540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).