N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine

C15H23N3O — CID 104996311

IUPACN-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1C)c1ccc(C)o1
InChIInChI=1S/C15H23N3O/c1-5-8-16-14(15-7-6-12(3)19-15)10-13-9-11(2)17-18(13)4/h6-7,9,14,16H,5,8,10H2,1-4H3
InChIKeyUMGUCQZJHLNRHO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.91
Rot. Bonds6

About N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine

N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 104996311) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID104996311
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1C)c1ccc(C)o1
InChIInChI=1S/C15H23N3O/c1-5-8-16-14(15-7-6-12(3)19-15)10-13-9-11(2)17-18(13)4/h6-7,9,14,16H,5,8,10H2,1-4H3
InChIKeyUMGUCQZJHLNRHO-UHFFFAOYSA-N
XLogP2.91
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 81494950
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
N-[1-(3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996379
N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105158604
N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996088
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 81270125
N-[1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996086
N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996392
1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine
CID 116718230
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine
CID 104996074
N-[2-(4-bromo-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115844669
3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine
CID 105004178

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine (CID 104996311) is N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)nn1C)c1ccc(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is UMGUCQZJHLNRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-8-16-14(15-7-6-12(3)19-15)10-13-9-11(2)17-18(13)4/h6-7,9,14,16H,5,8,10H2,1-4H3.
What are the key properties of N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104996311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).