1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine

C14H21N3O — CID 105160147

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine
SMILESCCc1cc(CC(N)CCc2ccco2)n(C)n1
InChIInChI=1S/C14H21N3O/c1-3-12-10-13(17(2)16-12)9-11(15)6-7-14-5-4-8-18-14/h4-5,8,10-11H,3,6-7,9,15H2,1-2H3
InChIKeyZXYDZYMVCCEXRK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.08
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine

1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine (PubChem CID 105160147) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine
PubChem CID105160147
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine
SMILESCCc1cc(CC(N)CCc2ccco2)n(C)n1
InChIInChI=1S/C14H21N3O/c1-3-12-10-13(17(2)16-12)9-11(15)6-7-14-5-4-8-18-14/h4-5,8,10-11H,3,6-7,9,15H2,1-2H3
InChIKeyZXYDZYMVCCEXRK-UHFFFAOYSA-N
XLogP2.08
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine
CID 105160252
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
CID 114211654
1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105158512
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
CID 115649859
4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
CID 61077814
1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
CID 55087006
1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
CID 105180938
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105160098
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 61079810

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine (CID 105160147) is 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine is CCc1cc(CC(N)CCc2ccco2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine?
The InChIKey is ZXYDZYMVCCEXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-12-10-13(17(2)16-12)9-11(15)6-7-14-5-4-8-18-14/h4-5,8,10-11H,3,6-7,9,15H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 105160147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).