3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

C17H31N3O — CID 103029915

IUPAC3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C17H31N3O/c1-6-9-18-16(8-7-15-10-19-20(5)11-15)17-12(2)13(3)21-14(17)4/h10-14,16-18H,6-9H2,1-5H3
InChIKeyRQSVTMDBRCEYBW-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.78
Rot. Bonds7

About 3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (PubChem CID 103029915) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
PubChem CID103029915
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C17H31N3O/c1-6-9-18-16(8-7-15-10-19-20(5)11-15)17-12(2)13(3)21-14(17)4/h10-14,16-18H,6-9H2,1-5H3
InChIKeyRQSVTMDBRCEYBW-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.78
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-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-(2,2-difluoroethyl)-4-[1-[(3R)-3-[(4-propan-2-ylpyrazol-1-yl)methyl]oxolan-2-yl]propan-2-yl]piperidine
CID 139373433
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

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (CID 103029915) is 3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is CCCNC(CCc1cnn(C)c1)C1C(C)OC(C)C1C.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The InChIKey is RQSVTMDBRCEYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-9-18-16(8-7-15-10-19-20(5)11-15)17-12(2)13(3)21-14(17)4/h10-14,16-18H,6-9H2,1-5H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 103029915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).