1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

C15H27N3O — CID 103030028

IUPAC1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)C1COC(C)C1
InChIInChI=1S/C15H27N3O/c1-4-7-16-15(14-8-12(2)19-11-14)6-5-13-9-17-18(3)10-13/h9-10,12,14-16H,4-8,11H2,1-3H3
InChIKeyPJRNBHQFJNGQDG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.15
Rot. Bonds7

About 1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 103030028) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID103030028
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)C1COC(C)C1
InChIInChI=1S/C15H27N3O/c1-4-7-16-15(14-8-12(2)19-11-14)6-5-13-9-17-18(3)10-13/h9-10,12,14-16H,4-8,11H2,1-3H3
InChIKeyPJRNBHQFJNGQDG-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010677
N-[(5-methyloxolan-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 115809309
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107191671
[1-(5-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291239
3-(1-methylpyrazol-4-yl)-1-(1,4-oxathian-2-yl)-N-propylpropan-1-amine
CID 103011425
N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 114825972
1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine
CID 115859664
2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 103014821
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
CID 103029553
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (CID 103030028) is 1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(CCc1cnn(C)c1)C1COC(C)C1.
What is the InChIKey of 1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is PJRNBHQFJNGQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-7-16-15(14-8-12(2)19-11-14)6-5-13-9-17-18(3)10-13/h9-10,12,14-16H,4-8,11H2,1-3H3.
What are the key properties of 1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103030028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).