1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine

C12H17N3O — CID 19626659

IUPAC1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCCn1ccc(C(C)NCc2ccco2)n1
InChIInChI=1S/C12H17N3O/c1-3-15-7-6-12(14-15)10(2)13-9-11-5-4-8-16-11/h4-8,10,13H,3,9H2,1-2H3
InChIKeyYLIVFQCRJOBEDZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.35
Rot. Bonds5

About 1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine

1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 19626659) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID19626659
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCCn1ccc(C(C)NCc2ccco2)n1
InChIInChI=1S/C12H17N3O/c1-3-15-7-6-12(14-15)10(2)13-9-11-5-4-8-16-11/h4-8,10,13H,3,9H2,1-2H3
InChIKeyYLIVFQCRJOBEDZ-UHFFFAOYSA-N
XLogP2.35
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 19626669
1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine
CID 19626620
(1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine
CID 125139906
(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 30111067
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
ethane;1-ethyl-3-propan-2-ylpyrazole
CID 143299826
1-ethyl-N-(furan-2-ylmethyl)-3-methylpyrazol-4-amine
CID 19626815
N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624876
N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 66416684
(1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81400661
N-(furan-2-ylmethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 43754949
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 24700728

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine (CID 19626659) is 1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine is CCn1ccc(C(C)NCc2ccco2)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is YLIVFQCRJOBEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-15-7-6-12(14-15)10(2)13-9-11-5-4-8-16-11/h4-8,10,13H,3,9H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine?
1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 19626659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).