N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine

C13H19N3O — CID 62632681

IUPACN-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCCC(Nc1c(C)nn(C)c1C)c1ccco1
InChIInChI=1S/C13H19N3O/c1-5-11(12-7-6-8-17-12)14-13-9(2)15-16(4)10(13)3/h6-8,11,14H,5H2,1-4H3
InChIKeyUBCMTIBUQABYLL-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine

N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 62632681) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID62632681
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCCC(Nc1c(C)nn(C)c1C)c1ccco1
InChIInChI=1S/C13H19N3O/c1-5-11(12-7-6-8-17-12)14-13-9(2)15-16(4)10(13)3/h6-8,11,14H,5H2,1-4H3
InChIKeyUBCMTIBUQABYLL-UHFFFAOYSA-N
XLogP3.19
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 43204555
N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine
CID 43310036
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 97270237
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 62633450
2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile
CID 107466817
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
CID 8756577
5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 43554339
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
CID 62632359
1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine
CID 62633045
1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 80682343

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine (CID 62632681) is N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine is CCC(Nc1c(C)nn(C)c1C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is UBCMTIBUQABYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-5-11(12-7-6-8-17-12)14-13-9(2)15-16(4)10(13)3/h6-8,11,14H,5H2,1-4H3.
What are the key properties of N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine?
N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 233.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 62632681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).