2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine

C13H23N3O — CID 121213123

IUPAC2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine
SMILESCC(C)c1n[nH]c(C2CCOCC2)c1CCN
InChIInChI=1S/C13H23N3O/c1-9(2)12-11(3-6-14)13(16-15-12)10-4-7-17-8-5-10/h9-10H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyBWQVDBIJBJVUDR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.93
Rot. Bonds4

About 2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine

2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine (PubChem CID 121213123) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine
PubChem CID121213123
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine
SMILESCC(C)c1n[nH]c(C2CCOCC2)c1CCN
InChIInChI=1S/C13H23N3O/c1-9(2)12-11(3-6-14)13(16-15-12)10-4-7-17-8-5-10/h9-10H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyBWQVDBIJBJVUDR-UHFFFAOYSA-N
XLogP1.93
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloroethyl)-5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazole
CID 121213131
2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine
CID 121213122
[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol
CID 121213089
4-ethyl-5-(oxan-4-yl)-1H-pyrazol-3-amine
CID 62906383
2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine
CID 121213156
2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine
CID 83916591
5-cyclopropyl-4-propyl-1H-pyrazol-3-amine
CID 79406037
3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine
CID 176992342
5-(oxan-4-yl)-2-propan-2-ylpyridin-3-amine
CID 83917616
4-(chloromethyl)-5-ethyl-3-(oxan-4-yl)-1H-pyrazole
CID 121212828
3-chloro-4-nitro-5-(oxan-4-yl)-1H-pyrazole
CID 165493211
3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine
CID 116883007

Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine (CID 121213123) is 2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine is CC(C)c1n[nH]c(C2CCOCC2)c1CCN.
What is the InChIKey of 2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine?
The InChIKey is BWQVDBIJBJVUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)12-11(3-6-14)13(16-15-12)10-4-7-17-8-5-10/h9-10H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine?
2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 121213123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).