1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine

C14H25N3O2 — CID 114660442

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine
SMILESCCCn1ncc(OC)c1C(N)CC1CCCCO1
InChIInChI=1S/C14H25N3O2/c1-3-7-17-14(13(18-2)10-16-17)12(15)9-11-6-4-5-8-19-11/h10-12H,3-9,15H2,1-2H3
InChIKeyINLCRAVPPJTGDU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.26
Rot. Bonds6

About 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine

1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine (PubChem CID 114660442) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine
PubChem CID114660442
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine
SMILESCCCn1ncc(OC)c1C(N)CC1CCCCO1
InChIInChI=1S/C14H25N3O2/c1-3-7-17-14(13(18-2)10-16-17)12(15)9-11-6-4-5-8-19-11/h10-12H,3-9,15H2,1-2H3
InChIKeyINLCRAVPPJTGDU-UHFFFAOYSA-N
XLogP2.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxy-1-propylpyrazol-5-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 105339773
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
CID 114646684
2-[5-[1-hydrazinyl-2-(oxolan-2-yl)ethyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105198802
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837767
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxan-2-yl)ethanamine
CID 114660462
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
CID 114646680
(2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 107191239
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethyl]propan-1-amine
CID 114660477
2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114654585
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647467
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647464

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine (CID 114660442) is 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine is CCCn1ncc(OC)c1C(N)CC1CCCCO1.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine?
The InChIKey is INLCRAVPPJTGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-7-17-14(13(18-2)10-16-17)12(15)9-11-6-4-5-8-19-11/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine?
1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine is sourced from PubChem (CID 114660442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).