1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine

C17H31N3O — CID 103987467

IUPAC1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(CC)nn1CC)CC1CCOC1
InChIInChI=1S/C17H31N3O/c1-4-8-18-16(10-14-7-9-21-13-14)12-17-11-15(5-2)19-20(17)6-3/h11,14,16,18H,4-10,12-13H2,1-3H3
InChIKeyRKTHNHRDNDZXGB-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.80
Rot. Bonds9

About 1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine

1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine (PubChem CID 103987467) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
PubChem CID103987467
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(CC)nn1CC)CC1CCOC1
InChIInChI=1S/C17H31N3O/c1-4-8-18-16(10-14-7-9-21-13-14)12-17-11-15(5-2)19-20(17)6-3/h11,14,16,18H,4-10,12-13H2,1-3H3
InChIKeyRKTHNHRDNDZXGB-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpropan-2-amine
CID 105002712
1-(5-bromo-2-pyridinyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 104803952
1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987520
N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105001653
1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987571
1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 107309012
1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol
CID 103170098
N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
CID 105135714
1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987549
6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
CID 113362206
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 105147499
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 115846981

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine (CID 103987467) is 1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine is CCCNC(Cc1cc(CC)nn1CC)CC1CCOC1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The InChIKey is RKTHNHRDNDZXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-8-18-16(10-14-7-9-21-13-14)12-17-11-15(5-2)19-20(17)6-3/h11,14,16,18H,4-10,12-13H2,1-3H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 103987467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).