N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine

C12H17N3O — CID 43492376

IUPACN-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1occc1C
InChIInChI=1S/C12H17N3O/c1-4-13-11(10-7-14-15(3)8-10)12-9(2)5-6-16-12/h5-8,11,13H,4H2,1-3H3
InChIKeyLSBKSGNHAXGWNP-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.02
Rot. Bonds4

About N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine

N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 43492376) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID43492376
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1occc1C
InChIInChI=1S/C12H17N3O/c1-4-13-11(10-7-14-15(3)8-10)12-9(2)5-6-16-12/h5-8,11,13H,4H2,1-3H3
InChIKeyLSBKSGNHAXGWNP-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114104180
N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104805386
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 104805056
N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492469
N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 116506465
N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 106691547
N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 114197719
N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374632
N-[(2-methoxy-5-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65200292
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492483
2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660779
N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43492495

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 43492376) is N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)c1occc1C.
What is the InChIKey of N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is LSBKSGNHAXGWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-13-11(10-7-14-15(3)8-10)12-9(2)5-6-16-12/h5-8,11,13H,4H2,1-3H3.
What are the key properties of N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43492376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).