N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine

C15H27N3O2 — CID 105047858

IUPACN-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(OC)cnn1CC)C1CCC(C)O1
InChIInChI=1S/C15H27N3O2/c1-5-9-16-14(12-8-7-11(3)20-12)15-13(19-4)10-17-18(15)6-2/h10-12,14,16H,5-9H2,1-4H3
InChIKeyXVXBRSVYVMDWGT-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.52
Rot. Bonds7

About N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine

N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 105047858) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID105047858
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(OC)cnn1CC)C1CCC(C)O1
InChIInChI=1S/C15H27N3O2/c1-5-9-16-14(12-8-7-11(3)20-12)15-13(19-4)10-17-18(15)6-2/h10-12,14,16H,5-9H2,1-4H3
InChIKeyXVXBRSVYVMDWGT-UHFFFAOYSA-N
XLogP2.52
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114657219
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105054576
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol
CID 114637952
N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine
CID 114648681
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191194
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105047944
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine
CID 114652904
N-[(5-bromo-2-methoxyphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330322
N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114655232
N-[(4-methoxy-3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 83045842
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105047733

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine (CID 105047858) is N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1c(OC)cnn1CC)C1CCC(C)O1.
What is the InChIKey of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is XVXBRSVYVMDWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-9-16-14(12-8-7-11(3)20-12)15-13(19-4)10-17-18(15)6-2/h10-12,14,16H,5-9H2,1-4H3.
What are the key properties of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105047858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).