ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine

C12H24N2 — CID 171661433

IUPACethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
SMILESCC.CC(C)C1CCCN2NCC=C12
InChIInChI=1S/C10H18N2.C2H6/c1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-2/h5,8-9,11H,3-4,6-7H2,1-2H3;1-2H3
InChIKeyCFBITQKXXUCDSI-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.78
Rot. Bonds1

About ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine

ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine (PubChem CID 171661433) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Nameethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
PubChem CID171661433
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Nameethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
SMILESCC.CC(C)C1CCCN2NCC=C12
InChIInChI=1S/C10H18N2.C2H6/c1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-2/h5,8-9,11H,3-4,6-7H2,1-2H3;1-2H3
InChIKeyCFBITQKXXUCDSI-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.78
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
1-methyl-2-[(Z)-4-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-2-yl]hydrazine
CID 138654966
3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine
CID 142002248
4-(2,3-dihydro-1H-pyrazol-5-yl)piperidine
CID 142155883
N-[4-(2-methylpropyl)octa-1,6,7-trien-2-yl]piperidin-1-amine
CID 144026049
N-(5-methylcyclohexen-1-yl)piperidin-1-amine
CID 144257329
6-methyl-1-propan-2-ylspiro[4,6-dihydro-2H-indazole-5,4'-piperidine]
CID 153912346
5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrido[1,2-c]triazine
CID 153961367
[(Z)-2-methyl-5-piperidin-4-ylhept-3-en-3-yl]hydrazine
CID 156186916
2-Propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 166647551
3,5-Dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 166776790

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine?
The IUPAC name of ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine (CID 171661433) is ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine is CC.CC(C)C1CCCN2NCC=C12.
What is the InChIKey of ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine?
The InChIKey is CFBITQKXXUCDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C2H6/c1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-2/h5,8-9,11H,3-4,6-7H2,1-2H3;1-2H3.
What are the key properties of ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine?
ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine has a molecular weight of 196.34 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 171661433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).