N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine

C19H25N3O — CID 71929087

IUPACN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine
SMILESCCn1cc(C2OCCC2CNCC=Cc2ccccc2)cn1
InChIInChI=1S/C19H25N3O/c1-2-22-15-18(14-21-22)19-17(10-12-23-19)13-20-11-6-9-16-7-4-3-5-8-16/h3-9,14-15,17,19-20H,2,10-13H2,1H3
InChIKeyMWFJJWZDIPFAMI-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.28
Rot. Bonds7

About N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine

N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine (PubChem CID 71929087) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine
PubChem CID71929087
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine
SMILESCCn1cc(C2OCCC2CNCC=Cc2ccccc2)cn1
InChIInChI=1S/C19H25N3O/c1-2-22-15-18(14-21-22)19-17(10-12-23-19)13-20-11-6-9-16-7-4-3-5-8-16/h3-9,14-15,17,19-20H,2,10-13H2,1H3
InChIKeyMWFJJWZDIPFAMI-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.28
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 N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine (CID 71929087) is N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine is CCn1cc(C2OCCC2CNCC=Cc2ccccc2)cn1.
What is the InChIKey of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine?
The InChIKey is MWFJJWZDIPFAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-22-15-18(14-21-22)19-17(10-12-23-19)13-20-11-6-9-16-7-4-3-5-8-16/h3-9,14-15,17,19-20H,2,10-13H2,1H3.
What are the key properties of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine?
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine has a molecular weight of 311.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 71929087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).