(Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine

C12H21N3O — CID 114666313

IUPAC(Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine
SMILESCCNCC/C=C(/C)c1c(OC)cnn1C
InChIInChI=1S/C12H21N3O/c1-5-13-8-6-7-10(2)12-11(16-4)9-14-15(12)3/h7,9,13H,5-6,8H2,1-4H3/b10-7-
InChIKeyABMIIDGABJPXDJ-YFHOEESVSA-N
MW223.32 g/mol
LogP1.83
Rot. Bonds6

About (Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine

(Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine (PubChem CID 114666313) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine
PubChem CID114666313
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine
SMILESCCNCC/C=C(/C)c1c(OC)cnn1C
InChIInChI=1S/C12H21N3O/c1-5-13-8-6-7-10(2)12-11(16-4)9-14-15(12)3/h7,9,13H,5-6,8H2,1-4H3/b10-7-
InChIKeyABMIIDGABJPXDJ-YFHOEESVSA-N
XLogP1.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine (CID 114666313) is (Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine is CCNCC/C=C(/C)c1c(OC)cnn1C.
What is the InChIKey of (Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine?
The InChIKey is ABMIIDGABJPXDJ-YFHOEESVSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-13-8-6-7-10(2)12-11(16-4)9-14-15(12)3/h7,9,13H,5-6,8H2,1-4H3/b10-7-.
What are the key properties of (Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine?
(Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine is sourced from PubChem (CID 114666313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).