1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine

C12H17N3O — CID 19626620

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCc1nn(C)cc1C(C)NCc1ccco1
InChIInChI=1S/C12H17N3O/c1-9(12-8-15(3)14-10(12)2)13-7-11-5-4-6-16-11/h4-6,8-9,13H,7H2,1-3H3
InChIKeyRBEWRWSZJCUBOI-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.17
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 19626620) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID19626620
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCc1nn(C)cc1C(C)NCc1ccco1
InChIInChI=1S/C12H17N3O/c1-9(12-8-15(3)14-10(12)2)13-7-11-5-4-6-16-11/h4-6,8-9,13H,7H2,1-3H3
InChIKeyRBEWRWSZJCUBOI-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

N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 63378794
N-[(5-bromothiophen-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 63378467
1-(furan-2-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43783211
1-(1,3-dimethylpyrazol-4-yl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 65196934
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 30111067
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine
CID 19626659
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
CID 19625559
1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 65197135
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763765
1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 19626630

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine (CID 19626620) is 1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine is Cc1nn(C)cc1C(C)NCc1ccco1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is RBEWRWSZJCUBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(12-8-15(3)14-10(12)2)13-7-11-5-4-6-16-11/h4-6,8-9,13H,7H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)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 1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 19626620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).