4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine

C14H21N3O — CID 80682006

IUPAC4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
SMILESCC(CCc1ccco1)NCCc1cnn(C)c1
InChIInChI=1S/C14H21N3O/c1-12(5-6-14-4-3-9-18-14)15-8-7-13-10-16-17(2)11-13/h3-4,9-12,15H,5-8H2,1-2H3
InChIKeyQBAUJSDRZXKGFQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.17
Rot. Bonds7

About 4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine

4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine (PubChem CID 80682006) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
PubChem CID80682006
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
SMILESCC(CCc1ccco1)NCCc1cnn(C)c1
InChIInChI=1S/C14H21N3O/c1-12(5-6-14-4-3-9-18-14)15-8-7-13-10-16-17(2)11-13/h3-4,9-12,15H,5-8H2,1-2H3
InChIKeyQBAUJSDRZXKGFQ-UHFFFAOYSA-N
XLogP2.17
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 129343227
1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 80682343
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 103947686
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 124594412
4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312823
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
4-(furan-2-yl)-N-(2-morpholin-4-ylethyl)butan-2-amine
CID 43393721
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103001980
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 103778177
(4S,5R)-4-[[[(2S)-4-(furan-2-yl)butan-2-yl]amino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129336064
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine
CID 103015314

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine (CID 80682006) is 4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine is CC(CCc1ccco1)NCCc1cnn(C)c1.
What is the InChIKey of 4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine?
The InChIKey is QBAUJSDRZXKGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12(5-6-14-4-3-9-18-14)15-8-7-13-10-16-17(2)11-13/h3-4,9-12,15H,5-8H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine?
4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine is sourced from PubChem (CID 80682006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).