(1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine

C9H15N3O — CID 82408330

IUPAC(1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine
SMILESC[C@H](N)c1cc(C2CCOC2)[nH]n1
InChIInChI=1S/C9H15N3O/c1-6(10)8-4-9(12-11-8)7-2-3-13-5-7/h4,6-7H,2-3,5,10H2,1H3,(H,11,12)/t6-,7?/m0/s1
InChIKeyLUKOLWHEIJLPGY-PKPIPKONSA-N
MW181.24 g/mol
LogP0.93
Rot. Bonds2

About (1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine

(1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine (PubChem CID 82408330) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine
PubChem CID82408330
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine
SMILESC[C@H](N)c1cc(C2CCOC2)[nH]n1
InChIInChI=1S/C9H15N3O/c1-6(10)8-4-9(12-11-8)7-2-3-13-5-7/h4,6-7H,2-3,5,10H2,1H3,(H,11,12)/t6-,7?/m0/s1
InChIKeyLUKOLWHEIJLPGY-PKPIPKONSA-N
XLogP0.93
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine
CID 105463302
1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092194
1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine
CID 83849771
5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63015423
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 104749797
ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole
CID 144669764
5-(oxan-3-yl)-1H-pyrazole-3-carbaldehyde
CID 115092480
5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97446214
1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]cyclopropan-1-amine
CID 105460864
4-(1-aminoethyl)-6-cyclopentyl-1H-pyrimidin-2-one
CID 83848472
N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide
CID 138048472
2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine
CID 65329558

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine?
The IUPAC name of (1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine (CID 82408330) is (1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine?
The canonical SMILES for (1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine is C[C@H](N)c1cc(C2CCOC2)[nH]n1.
What is the InChIKey of (1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine?
The InChIKey is LUKOLWHEIJLPGY-PKPIPKONSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(10)8-4-9(12-11-8)7-2-3-13-5-7/h4,6-7H,2-3,5,10H2,1H3,(H,11,12)/t6-,7?/m0/s1.
What are the key properties of (1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine?
(1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine has a molecular weight of 181.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine is sourced from PubChem (CID 82408330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).