2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine

C13H19N3O2 — CID 114274283

IUPAC2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCCOc1cnn(C(C)CNCc2ccco2)c1
InChIInChI=1S/C13H19N3O2/c1-3-17-13-9-15-16(10-13)11(2)7-14-8-12-5-4-6-18-12/h4-6,9-11,14H,3,7-8H2,1-2H3
InChIKeyCXMRHULXEWGERU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.23
Rot. Bonds7

About 2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine

2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 114274283) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID114274283
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCCOc1cnn(C(C)CNCc2ccco2)c1
InChIInChI=1S/C13H19N3O2/c1-3-17-13-9-15-16(10-13)11(2)7-14-8-12-5-4-6-18-12/h4-6,9-11,14H,3,7-8H2,1-2H3
InChIKeyCXMRHULXEWGERU-UHFFFAOYSA-N
XLogP2.23
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine
CID 62563647
2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 82694425
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352
N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54805793
N-(furan-2-ylmethyl)-2-(4-methylphenoxy)propan-1-amine
CID 46736230
N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106925818
1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine
CID 116803887
4-(furan-2-ylmethoxy)-1-methylpyrazole
CID 116794087
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
CID 54884385
1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965180

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine (CID 114274283) is 2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine is CCOc1cnn(C(C)CNCc2ccco2)c1.
What is the InChIKey of 2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is CXMRHULXEWGERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-17-13-9-15-16(10-13)11(2)7-14-8-12-5-4-6-18-12/h4-6,9-11,14H,3,7-8H2,1-2H3.
What are the key properties of 2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 249.31 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 114274283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).