1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine

C12H20N4O — CID 63316357

IUPAC1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCN2CCOC3CCCC32)n1
InChIInChI=1S/C12H20N4O/c13-12-4-5-16(14-12)7-6-15-8-9-17-11-3-1-2-10(11)15/h4-5,10-11H,1-3,6-9H2,(H2,13,14)
InChIKeyRVYFSVLXURNTIY-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.72
Rot. Bonds3

About 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine

1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine (PubChem CID 63316357) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine
PubChem CID63316357
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCN2CCOC3CCCC32)n1
InChIInChI=1S/C12H20N4O/c13-12-4-5-16(14-12)7-6-15-8-9-17-11-3-1-2-10(11)15/h4-5,10-11H,1-3,6-9H2,(H2,13,14)
InChIKeyRVYFSVLXURNTIY-UHFFFAOYSA-N
XLogP0.72
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318333
1-[2-(2-ethylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318334
1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520
2-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]aniline
CID 107274411
4-[3-(3-aminopyrazol-1-yl)propyl]morpholine-3-carboxamide
CID 83102233
3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]aniline
CID 65347854
4-(6-chlorohexyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 62227452
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(2-bromophenyl)propan-1-one
CID 62629530
1-[3-(3-ethylmorpholin-4-yl)propyl]pyrazol-3-amine
CID 63310734
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2,6-dichloroaniline
CID 82833402
(4aS,7aS)-4-[2-(4-nitrophenyl)ethyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 96549114
4-[2-(1,3-dioxan-2-yl)ethyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 66475128

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine (CID 63316357) is 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine is Nc1ccn(CCN2CCOC3CCCC32)n1.
What is the InChIKey of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine?
The InChIKey is RVYFSVLXURNTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-12-4-5-16(14-12)7-6-15-8-9-17-11-3-1-2-10(11)15/h4-5,10-11H,1-3,6-9H2,(H2,13,14).
What are the key properties of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine?
1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine has a molecular weight of 236.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 63316357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).