1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine

C14H21N3O — CID 115711474

IUPAC1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine
SMILESCCn1nc(C)c(C(C)NCc2ccoc2)c1C
InChIInChI=1S/C14H21N3O/c1-5-17-12(4)14(11(3)16-17)10(2)15-8-13-6-7-18-9-13/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyQEKFYEZTDPFHQV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.96
Rot. Bonds5

About 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine (PubChem CID 115711474) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine
PubChem CID115711474
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine
SMILESCCn1nc(C)c(C(C)NCc2ccoc2)c1C
InChIInChI=1S/C14H21N3O/c1-5-17-12(4)14(11(3)16-17)10(2)15-8-13-6-7-18-9-13/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyQEKFYEZTDPFHQV-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-Methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71990490
1-[(2-Methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 71990495
6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97381634
5-(furan-3-ylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97389055
5-(Furan-3-ylmethyl)-1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 97519221
(1S)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 100678251
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(furan-3-ylmethyl)acetamide
CID 47431758
N-(furan-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 55088515
(2E)-N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(2-furyl)-2-methylprop-2-en-1-amine
CID 46984052
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806424
4-[[5-(Furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine
CID 97405354
4-[[5-(Furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine
CID 97405378

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine (CID 115711474) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine is CCn1nc(C)c(C(C)NCc2ccoc2)c1C.
What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine?
The InChIKey is QEKFYEZTDPFHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-5-17-12(4)14(11(3)16-17)10(2)15-8-13-6-7-18-9-13/h6-7,9-10,15H,5,8H2,1-4H3.
What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine?
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 115711474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).