(1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine

C12H19N3O — CID 102653075

IUPAC(1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine
SMILESCCc1cc(C(N)C2=CCCO2)n(CC)n1
InChIInChI=1S/C12H19N3O/c1-3-9-8-10(15(4-2)14-9)12(13)11-6-5-7-16-11/h6,8,12H,3-5,7,13H2,1-2H3
InChIKeyIXKVZKAKZNZEEU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.77
Rot. Bonds4

About (1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine

(1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine (PubChem CID 102653075) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine
PubChem CID102653075
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine
SMILESCCc1cc(C(N)C2=CCCO2)n(CC)n1
InChIInChI=1S/C12H19N3O/c1-3-9-8-10(15(4-2)14-9)12(13)11-6-5-7-16-11/h6,8,12H,3-5,7,13H2,1-2H3
InChIKeyIXKVZKAKZNZEEU-UHFFFAOYSA-N
XLogP1.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105157155
(1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187235
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
(1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
CID 105140273
1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine
CID 105161142
1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105184781
2,3-dihydrofuran-5-yl-(4-ethylphenyl)methanamine
CID 102651207
(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine
CID 105188707
(1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 105102122
1-(1,3-diethylpyrazol-5-yl)prop-2-enylhydrazine
CID 105318016
(1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106682077
(1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol
CID 105097748

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine (CID 102653075) is (1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine is CCc1cc(C(N)C2=CCCO2)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine?
The InChIKey is IXKVZKAKZNZEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-9-8-10(15(4-2)14-9)12(13)11-6-5-7-16-11/h6,8,12H,3-5,7,13H2,1-2H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine?
(1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine is sourced from PubChem (CID 102653075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).