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

C14H25N3O — CID 103029934

IUPACN-ethyl-1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1cnn(C)c1)C1COC(C)C1
InChIInChI=1S/C14H25N3O/c1-4-15-14(13-7-11(2)18-10-13)6-5-12-8-16-17(3)9-12/h8-9,11,13-15H,4-7,10H2,1-3H3
InChIKeyCBGYEOCCZCJALI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.76
Rot. Bonds6

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

N-ethyl-1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103029934) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103029934
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1cnn(C)c1)C1COC(C)C1
InChIInChI=1S/C14H25N3O/c1-4-15-14(13-7-11(2)18-10-13)6-5-12-8-16-17(3)9-12/h8-9,11,13-15H,4-7,10H2,1-3H3
InChIKeyCBGYEOCCZCJALI-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)oxan-4-amine dihydrochloride
CID 119056955
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122155807
rac-4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole dihydrochloride
CID 122155814
2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine
CID 71929305
2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
CID 75446646
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 99827518
Rac-[(2r,3s)-2-(1-methyl-1h-pyrazol-4-yl)oxan-3-yl]methanamine
CID 124507216
1-Cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 132970547
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103029934) is N-ethyl-1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is CCNC(CCc1cnn(C)c1)C1COC(C)C1.
What is the InChIKey of N-ethyl-1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is CBGYEOCCZCJALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-15-14(13-7-11(2)18-10-13)6-5-12-8-16-17(3)9-12/h8-9,11,13-15H,4-7,10H2,1-3H3.
What are the key properties of N-ethyl-1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
N-ethyl-1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.76, 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-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103029934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).