N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine

C15H23N3O — CID 103030866

IUPACN-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1c(C)oc(C)c1C
InChIInChI=1S/C15H23N3O/c1-10-11(2)19-12(3)15(10)14(16-4)7-6-13-8-9-17-18(13)5/h8-9,14,16H,6-7H2,1-5H3
InChIKeyWJYLJXLILOSCIX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.83
Rot. Bonds5

About N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine

N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine (PubChem CID 103030866) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
PubChem CID103030866
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1c(C)oc(C)c1C
InChIInChI=1S/C15H23N3O/c1-10-11(2)19-12(3)15(10)14(16-4)7-6-13-8-9-17-18(13)5/h8-9,14,16H,6-7H2,1-5H3
InChIKeyWJYLJXLILOSCIX-UHFFFAOYSA-N
XLogP2.83
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009289
1-(furan-3-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010290
1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030633
N-methyl-3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009605
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030592
N-methyl-3-(2-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)propan-1-amine
CID 103030587
1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030434
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009150
1-[4-(difluoromethoxy)phenyl]-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030570
1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030584
N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 114982292
N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine
CID 103030518

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine (CID 103030866) is N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine is CNC(CCc1ccnn1C)c1c(C)oc(C)c1C.
What is the InChIKey of N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine?
The InChIKey is WJYLJXLILOSCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-11(2)19-12(3)15(10)14(16-4)7-6-13-8-9-17-18(13)5/h8-9,14,16H,6-7H2,1-5H3.
What are the key properties of N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine?
N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine is sourced from PubChem (CID 103030866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).