1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine

C15H23N3O — CID 105158512

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
SMILESCCNC(CCc1ccco1)Cc1cc(C)nn1C
InChIInChI=1S/C15H23N3O/c1-4-16-13(7-8-15-6-5-9-19-15)11-14-10-12(2)17-18(14)3/h5-6,9-10,13,16H,4,7-8,11H2,1-3H3
InChIKeyUQZONZUQMBVKAJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.47
Rot. Bonds7

About 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine (PubChem CID 105158512) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
PubChem CID105158512
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
SMILESCCNC(CCc1ccco1)Cc1cc(C)nn1C
InChIInChI=1S/C15H23N3O/c1-4-16-13(7-8-15-6-5-9-19-15)11-14-10-12(2)17-18(14)3/h5-6,9-10,13,16H,4,7-8,11H2,1-3H3
InChIKeyUQZONZUQMBVKAJ-UHFFFAOYSA-N
XLogP2.47
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105158723
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105158653
N-ethyl-4-(furan-2-yl)-1-phenylbutan-2-amine
CID 61064729
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine
CID 105160147
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 103053051
1-cyclopentyl-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105138868
1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 106692336
N-ethyl-1-(furan-2-yl)-6-phenylhexan-3-amine
CID 105139753
1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine
CID 105158513
N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine
CID 105152508
[4-(furan-2-yl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066795
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105160208

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine (CID 105158512) is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine is CCNC(CCc1ccco1)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
The InChIKey is UQZONZUQMBVKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-16-13(7-8-15-6-5-9-19-15)11-14-10-12(2)17-18(14)3/h5-6,9-10,13,16H,4,7-8,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 105158512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).