(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine

C13H19N3O — CID 114104356

IUPAC(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccoc1CC
InChIInChI=1S/C13H19N3O/c1-3-8-16-11(5-7-15-16)13(14)10-6-9-17-12(10)4-2/h5-7,9,13H,3-4,8,14H2,1-2H3
InChIKeyJLCYGFIPKCPXLM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.50
Rot. Bonds5

About (2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine

(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 114104356) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID114104356
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccoc1CC
InChIInChI=1S/C13H19N3O/c1-3-8-16-11(5-7-15-16)13(14)10-6-9-17-12(10)4-2/h5-7,9,13H,3-4,8,14H2,1-2H3
InChIKeyJLCYGFIPKCPXLM-UHFFFAOYSA-N
XLogP2.50
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 106692049
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
CID 63976392
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040
(2-ethylpyrazol-3-yl)-(2-methylfuran-3-yl)methanamine
CID 104789763
(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115857397
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanamine
CID 63976573
(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 107968266
(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 114024209
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 106859237
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857696

Frequently Asked Questions

What is the IUPAC name of (2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine (CID 114104356) is (2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1ccoc1CC.
What is the InChIKey of (2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is JLCYGFIPKCPXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-8-16-11(5-7-15-16)13(14)10-6-9-17-12(10)4-2/h5-7,9,13H,3-4,8,14H2,1-2H3.
What are the key properties of (2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine?
(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 114104356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).