2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine

C15H23N3O — CID 82694425

IUPAC2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCCc1cc(CC)n(C(C)CNCc2ccco2)n1
InChIInChI=1S/C15H23N3O/c1-4-13-9-14(5-2)18(17-13)12(3)10-16-11-15-7-6-8-19-15/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyNKZMODUFOMBOIS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.95
Rot. Bonds7

About 2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine

2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 82694425) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID82694425
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCCc1cc(CC)n(C(C)CNCc2ccco2)n1
InChIInChI=1S/C15H23N3O/c1-4-13-9-14(5-2)18(17-13)12(3)10-16-11-15-7-6-8-19-15/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyNKZMODUFOMBOIS-UHFFFAOYSA-N
XLogP2.95
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine
CID 62563647
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 114274283
3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine
CID 82694867
2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 62556964
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352
N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126967579
N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62557113
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62557140
N-(furan-2-ylmethyl)-2-(4-methylphenoxy)propan-1-amine
CID 46736230

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine (CID 82694425) is 2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine is CCc1cc(CC)n(C(C)CNCc2ccco2)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is NKZMODUFOMBOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-13-9-14(5-2)18(17-13)12(3)10-16-11-15-7-6-8-19-15/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 82694425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).