(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine

C10H17N3O — CID 130791829

IUPAC(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine
SMILESC[C@H](N)c1cnn(CC2CCOC2)c1
InChIInChI=1S/C10H17N3O/c1-8(11)10-4-12-13(6-10)5-9-2-3-14-7-9/h4,6,8-9H,2-3,5,7,11H2,1H3/t8-,9?/m0/s1
InChIKeyCYIRNZYLGIAJCJ-IENPIDJESA-N
MW195.27 g/mol
LogP0.94
Rot. Bonds3

About (1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine

(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine (PubChem CID 130791829) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine
PubChem CID130791829
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine
SMILESC[C@H](N)c1cnn(CC2CCOC2)c1
InChIInChI=1S/C10H17N3O/c1-8(11)10-4-12-13(6-10)5-9-2-3-14-7-9/h4,6,8-9H,2-3,5,7,11H2,1H3/t8-,9?/m0/s1
InChIKeyCYIRNZYLGIAJCJ-IENPIDJESA-N
XLogP0.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 122240744
1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine
CID 62731505
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
CID 62730914
1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129368054
4-(1-chloropropyl)-1-(oxan-4-ylmethyl)pyrazole
CID 62729493
[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol
CID 129368074
(1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine
CID 104942924
2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 103986856
3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine
CID 122240718
1-[1-[[(3S)-oxan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129498995
1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanol
CID 62729638
ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole
CID 170609133

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine (CID 130791829) is (1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine is C[C@H](N)c1cnn(CC2CCOC2)c1.
What is the InChIKey of (1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine?
The InChIKey is CYIRNZYLGIAJCJ-IENPIDJESA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(11)10-4-12-13(6-10)5-9-2-3-14-7-9/h4,6,8-9H,2-3,5,7,11H2,1H3/t8-,9?/m0/s1.
What are the key properties of (1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine?
(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine has a molecular weight of 195.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 130791829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).