N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C14H25N3O — CID 103029626

IUPACN-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1cnn(C)c1)C1CCC(C)O1
InChIInChI=1S/C14H25N3O/c1-4-15-13(14-8-5-11(2)18-14)7-6-12-9-16-17(3)10-12/h9-11,13-15H,4-8H2,1-3H3
InChIKeyYMRAXTVLDWSBMJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.90
Rot. Bonds6

About N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103029626) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103029626
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1cnn(C)c1)C1CCC(C)O1
InChIInChI=1S/C14H25N3O/c1-4-15-13(14-8-5-11(2)18-14)7-6-12-9-16-17(3)10-12/h9-11,13-15H,4-8H2,1-3H3
InChIKeyYMRAXTVLDWSBMJ-UHFFFAOYSA-N
XLogP1.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Furanamine, tetrahydro-2-(1-methyl-1H-pyrazol-4-yl)-, (2S,3R)-
CID 121553712
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122155807
rac-(2R,3S)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122164099
1-(1-Ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024967
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024968
1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103024969
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024991
4-Methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024992
N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024993
1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103024996
[1-(3-Methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025586
[3-(1-Methylpyrazol-4-yl)-1-(oxolan-2-yl)propyl]hydrazine
CID 103025605

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103029626) is N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is CCNC(CCc1cnn(C)c1)C1CCC(C)O1.
What is the InChIKey of N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is YMRAXTVLDWSBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-15-13(14-8-5-11(2)18-14)7-6-12-9-16-17(3)10-12/h9-11,13-15H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103029626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).