N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine

C17H31N3O — CID 105001653

IUPACN-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(CC)nn1CC)C1CCC(C)O1
InChIInChI=1S/C17H31N3O/c1-5-10-18-16(17-9-8-13(4)21-17)12-15-11-14(6-2)19-20(15)7-3/h11,13,16-18H,5-10,12H2,1-4H3
InChIKeyAJBBCIYNNHCJHL-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.94
Rot. Bonds8

About N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine

N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine (PubChem CID 105001653) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
PubChem CID105001653
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(CC)nn1CC)C1CCC(C)O1
InChIInChI=1S/C17H31N3O/c1-5-10-18-16(17-9-8-13(4)21-17)12-15-11-14(6-2)19-20(15)7-3/h11,13,16-18H,5-10,12H2,1-4H3
InChIKeyAJBBCIYNNHCJHL-UHFFFAOYSA-N
XLogP2.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
CID 114979569
1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987467
N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115864188
N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 81330027
N-[1-(5-methyloxolan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 104999639
N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105000367
4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 115834351
N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844239
N-[2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115840490
[2-(1,3-diethylpyrazol-5-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105318400
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 104999026
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79963770

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine (CID 105001653) is N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(CC)nn1CC)C1CCC(C)O1.
What is the InChIKey of N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is AJBBCIYNNHCJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-10-18-16(17-9-8-13(4)21-17)12-15-11-14(6-2)19-20(15)7-3/h11,13,16-18H,5-10,12H2,1-4H3.
What are the key properties of N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105001653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).