1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine

C13H23N3O2 — CID 114646684

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
SMILESCOc1cnn(C(C)C)c1C(N)CC1CCCO1
InChIInChI=1S/C13H23N3O2/c1-9(2)16-13(12(17-3)8-15-16)11(14)7-10-5-4-6-18-10/h8-11H,4-7,14H2,1-3H3
InChIKeyMHHHUFWLKIJTKW-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.04
Rot. Bonds5

About 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 114646684) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID114646684
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
SMILESCOc1cnn(C(C)C)c1C(N)CC1CCCO1
InChIInChI=1S/C13H23N3O2/c1-9(2)16-13(12(17-3)8-15-16)11(14)7-10-5-4-6-18-10/h8-11H,4-7,14H2,1-3H3
InChIKeyMHHHUFWLKIJTKW-UHFFFAOYSA-N
XLogP2.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine
CID 114660442
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol
CID 115837343
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine
CID 114657506
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
CID 114646680
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine
CID 105048318
4-ethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-amine
CID 105186873
2-[5-[1-hydrazinyl-2-(oxolan-2-yl)ethyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105198802
2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114661294
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanamine
CID 114657180
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 114657848
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine
CID 114653547
1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 65154803

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine (CID 114646684) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine is COc1cnn(C(C)C)c1C(N)CC1CCCO1.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is MHHHUFWLKIJTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)16-13(12(17-3)8-15-16)11(14)7-10-5-4-6-18-10/h8-11H,4-7,14H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 253.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 114646684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).