(E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine

C11H19N3O — CID 114666169

IUPAC(E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine
SMILESCCCn1ncc(OC)c1/C=C/CCN
InChIInChI=1S/C11H19N3O/c1-3-8-14-10(6-4-5-7-12)11(15-2)9-13-14/h4,6,9H,3,5,7-8,12H2,1-2H3/b6-4+
InChIKeyKOZAULILPUSIKK-GQCTYLIASA-N
MW209.29 g/mol
LogP1.66
Rot. Bonds6

About (E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine

(E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine (PubChem CID 114666169) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine
PubChem CID114666169
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine
SMILESCCCn1ncc(OC)c1/C=C/CCN
InChIInChI=1S/C11H19N3O/c1-3-8-14-10(6-4-5-7-12)11(15-2)9-13-14/h4,6,9H,3,5,7-8,12H2,1-2H3/b6-4+
InChIKeyKOZAULILPUSIKK-GQCTYLIASA-N
XLogP1.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde
CID 114662451
4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114665922
(E)-4-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]but-3-en-1-amine
CID 114666174
1-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114637758
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine
CID 169464750
N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
CID 104940638
3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114668938
5-[(E)-4-bromobut-1-enyl]-4-methoxy-1-propan-2-ylpyrazole
CID 114666164
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine
CID 114663877
N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114652183

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine?
The IUPAC name of (E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine (CID 114666169) is (E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine is CCCn1ncc(OC)c1/C=C/CCN.
What is the InChIKey of (E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine?
The InChIKey is KOZAULILPUSIKK-GQCTYLIASA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-8-14-10(6-4-5-7-12)11(15-2)9-13-14/h4,6,9H,3,5,7-8,12H2,1-2H3/b6-4+.
What are the key properties of (E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine?
(E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine is sourced from PubChem (CID 114666169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).