N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine

C15H23N3O — CID 62440400

IUPACN-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1cc(Cn2nc(C)c(C)c2C)oc1C
InChIInChI=1S/C15H23N3O/c1-6-16-8-14-7-15(19-13(14)5)9-18-12(4)10(2)11(3)17-18/h7,16H,6,8-9H2,1-5H3
InChIKeyKXNVOTRGQLTPMH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.87
Rot. Bonds5

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

N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine (PubChem CID 62440400) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine
PubChem CID62440400
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1cc(Cn2nc(C)c(C)c2C)oc1C
InChIInChI=1S/C15H23N3O/c1-6-16-8-14-7-15(19-13(14)5)9-18-12(4)10(2)11(3)17-18/h7,16H,6,8-9H2,1-5H3
InChIKeyKXNVOTRGQLTPMH-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62440402
2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62440596
N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62443312
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62448437
N-[[2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]ethanamine
CID 66370823
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446739
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
CID 62417372
N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62418328
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62440795
[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methanamine
CID 62441349
N-[[2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 62419219
N-[[5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62411119

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine (CID 62440400) is N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine is CCNCc1cc(Cn2nc(C)c(C)c2C)oc1C.
What is the InChIKey of N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is KXNVOTRGQLTPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-6-16-8-14-7-15(19-13(14)5)9-18-12(4)10(2)11(3)17-18/h7,16H,6,8-9H2,1-5H3.
What are the key properties of N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine?
N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62440400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).