1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C15H25N3O — CID 102653559

IUPAC1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1c(C)nn(C)c1C)C1=CCCO1
InChIInChI=1S/C15H25N3O/c1-5-16-14(15-7-6-10-19-15)9-8-13-11(2)17-18(4)12(13)3/h7,14,16H,5-6,8-10H2,1-4H3
InChIKeyVZMGBPJUWVMERV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.25
Rot. Bonds6

About 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 102653559) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID102653559
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1c(C)nn(C)c1C)C1=CCCO1
InChIInChI=1S/C15H25N3O/c1-5-16-14(15-7-6-10-19-15)9-8-13-11(2)17-18(4)12(13)3/h7,14,16H,5-6,8-10H2,1-4H3
InChIKeyVZMGBPJUWVMERV-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 102654606
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 102648848
1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 102653938
1-(cyclohepten-1-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 106657201
1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
CID 102653271
N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine
CID 105078315
1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 102652873
1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 102647764
1-(cyclohepten-1-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 106657055
N-propyl-1-pyrimidin-5-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105119127
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine
CID 102653276
N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105184598

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 102653559) is 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is CCNC(CCc1c(C)nn(C)c1C)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is VZMGBPJUWVMERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-16-14(15-7-6-10-19-15)9-8-13-11(2)17-18(4)12(13)3/h7,14,16H,5-6,8-10H2,1-4H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 102653559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).