N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine

C11H17N3O — CID 102653774

IUPACN-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)c1ccnn1C
InChIInChI=1S/C11H17N3O/c1-3-12-11(10-5-4-8-15-10)9-6-7-13-14(9)2/h5-7,11-12H,3-4,8H2,1-2H3
InChIKeyNNZZXLNNKVABIR-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.37
Rot. Bonds4

About N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine

N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 102653774) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID102653774
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)c1ccnn1C
InChIInChI=1S/C11H17N3O/c1-3-12-11(10-5-4-8-15-10)9-6-7-13-14(9)2/h5-7,11-12H,3-4,8H2,1-2H3
InChIKeyNNZZXLNNKVABIR-UHFFFAOYSA-N
XLogP1.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858831
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
N-[2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858500
N-[(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107503811
N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine
CID 114030284
N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106692062
N-[2,3-dihydrofuran-5-yl(quinolin-6-yl)methyl]ethanamine
CID 102651527
N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653731
N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858558
N-[2,3-dihydrofuran-5-yl(1,3-thiazol-4-yl)methyl]ethanamine
CID 102651999
N-[(3-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63961805
N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858472

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine (CID 102653774) is N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine is CCNC(C1=CCCO1)c1ccnn1C.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is NNZZXLNNKVABIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-12-11(10-5-4-8-15-10)9-6-7-13-14(9)2/h5-7,11-12H,3-4,8H2,1-2H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine?
N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 102653774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).