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

C12H17N3O — CID 79579138

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCc1c(CNC(C)c2ccco2)cnn1C
InChIInChI=1S/C12H17N3O/c1-9(12-5-4-6-16-12)13-7-11-8-14-15(3)10(11)2/h4-6,8-9,13H,7H2,1-3H3
InChIKeyLMDDPGKRFLIEJR-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.17
Rot. Bonds4

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 79579138) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID79579138
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCc1c(CNC(C)c2ccco2)cnn1C
InChIInChI=1S/C12H17N3O/c1-9(12-5-4-6-16-12)13-7-11-8-14-15(3)10(11)2/h4-6,8-9,13H,7H2,1-3H3
InChIKeyLMDDPGKRFLIEJR-UHFFFAOYSA-N
XLogP2.17
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682172
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81402958
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102613087
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
(1S)-1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81372486
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 79579433
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)ethanamine
CID 43535659
(1R)-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81399912
1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 103922096
(1R)-N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine
CID 9118055

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine (CID 79579138) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine is Cc1c(CNC(C)c2ccco2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is LMDDPGKRFLIEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(12-5-4-6-16-12)13-7-11-8-14-15(3)10(11)2/h4-6,8-9,13H,7H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 79579138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).