N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine

C14H21N3O — CID 114197719

IUPACN-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1occc1C)c1ccnn1C(C)C
InChIInChI=1S/C14H21N3O/c1-5-15-13(14-11(4)7-9-18-14)12-6-8-16-17(12)10(2)3/h6-10,13,15H,5H2,1-4H3
InChIKeySTUGLVJQULMAHX-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.06
Rot. Bonds5

About N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine

N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine (PubChem CID 114197719) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
PubChem CID114197719
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1occc1C)c1ccnn1C(C)C
InChIInChI=1S/C14H21N3O/c1-5-15-13(14-11(4)7-9-18-14)12-6-8-16-17(12)10(2)3/h6-10,13,15H,5H2,1-4H3
InChIKeySTUGLVJQULMAHX-UHFFFAOYSA-N
XLogP3.06
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 114197624
N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492376
N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 114197664
[(2-ethylpyrazol-3-yl)-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269432
N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 114197724
N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104805386
N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488099
N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805164
N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine
CID 62078327
2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660779
N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine
CID 104805469
N-ethyl-2-(furan-3-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104805287

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine (CID 114197719) is N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine is CCNC(c1occc1C)c1ccnn1C(C)C.
What is the InChIKey of N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is STUGLVJQULMAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-5-15-13(14-11(4)7-9-18-14)12-6-8-16-17(12)10(2)3/h6-10,13,15H,5H2,1-4H3.
What are the key properties of N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine?
N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 247.34 g/mol, XLogP of 3.06, 5 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)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 114197719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).