2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine

C10H17N3O — CID 104747821

IUPAC2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine
SMILESCc1ccnn1CC(N)C1CCOC1
InChIInChI=1S/C10H17N3O/c1-8-2-4-12-13(8)6-10(11)9-3-5-14-7-9/h2,4,9-10H,3,5-7,11H2,1H3
InChIKeyRQKMWLXXOZEHIX-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.56
Rot. Bonds3

About 2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine

2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine (PubChem CID 104747821) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine
PubChem CID104747821
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine
SMILESCc1ccnn1CC(N)C1CCOC1
InChIInChI=1S/C10H17N3O/c1-8-2-4-12-13(8)6-10(11)9-3-5-14-7-9/h2,4,9-10H,3,5-7,11H2,1H3
InChIKeyRQKMWLXXOZEHIX-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 113448371
1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine
CID 104747073
1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one
CID 104747379
5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104748230
1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine
CID 104747084
(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine
CID 65330620
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104746378
1-[2-amino-2-(oxolan-3-yl)ethyl]pyridin-2-one
CID 104747061
2-(5-methyl-2-pyridinyl)-1-(oxolan-3-yl)ethanamine
CID 66445949
2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755787
1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65330460
5-methyl-1-(oxan-4-yloxymethyl)pyrazole
CID 130564425

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine (CID 104747821) is 2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine is Cc1ccnn1CC(N)C1CCOC1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is RQKMWLXXOZEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-2-4-12-13(8)6-10(11)9-3-5-14-7-9/h2,4,9-10H,3,5-7,11H2,1H3.
What are the key properties of 2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine?
2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 195.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104747821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).