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

C13H19N3O2 — CID 104860866

IUPAC(1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOc1c(CN[C@H](C)c2ccco2)c(C)nn1C
InChIInChI=1S/C13H19N3O2/c1-9-11(13(17-4)16(3)15-9)8-14-10(2)12-6-5-7-18-12/h5-7,10,14H,8H2,1-4H3/t10-/m1/s1
InChIKeySOMHNZVCHMOUQP-SNVBAGLBSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds5

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

(1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 104860866) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID104860866
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOc1c(CN[C@H](C)c2ccco2)c(C)nn1C
InChIInChI=1S/C13H19N3O2/c1-9-11(13(17-4)16(3)15-9)8-14-10(2)12-6-5-7-18-12/h5-7,10,14H,8H2,1-4H3/t10-/m1/s1
InChIKeySOMHNZVCHMOUQP-SNVBAGLBSA-N
XLogP2.18
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 104860868
(1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860855
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 104860852
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 115600765
(1R)-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81399912
1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 51104814
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine
CID 94816988
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 51104803
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
CID 113381760
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 43645072
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)ethanamine
CID 43535659

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine (CID 104860866) is (1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine is COc1c(CN[C@H](C)c2ccco2)c(C)nn1C.
What is the InChIKey of (1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is SOMHNZVCHMOUQP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-11(13(17-4)16(3)15-9)8-14-10(2)12-6-5-7-18-12/h5-7,10,14H,8H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
(1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 249.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 104860866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).