N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine

C30H40FN5 — CID 171097272

IUPACN-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine
SMILESC=C(NCc1ccccc1)C1CCCN1C.C=CCC1=NN=C(CN)C1.Fc1ccccc1C1CC1
InChIInChI=1S/C14H20N2.C9H9F.C7H11N3/c1-12(14-9-6-10-16(14)2)15-11-13-7-4-3-5-8-13;10-9-4-2-1-3-8(9)7-5-6-7;1-2-3-6-4-7(5-8)10-9-6/h3-5,7-8,14-15H,1,6,9-11H2,2H3;1-4,7H,5-6H2;2H,1,3-5,8H2
InChIKeyQZRYOUCSMZPROU-UHFFFAOYSA-N
MW489.68 g/mol
LogP5.81
Rot. Bonds8

About N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine

N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine (PubChem CID 171097272) has the molecular formula C30H40FN5 and a molecular weight of 489.68 g/mol. Its IUPAC name is N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine
PubChem CID171097272
Molecular FormulaC30H40FN5
Molecular Weight489.68 g/mol
Exact Mass489.33
IUPAC NameN-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine
SMILESC=C(NCc1ccccc1)C1CCCN1C.C=CCC1=NN=C(CN)C1.Fc1ccccc1C1CC1
InChIInChI=1S/C14H20N2.C9H9F.C7H11N3/c1-12(14-9-6-10-16(14)2)15-11-13-7-4-3-5-8-13;10-9-4-2-1-3-8(9)7-5-6-7;1-2-3-6-4-7(5-8)10-9-6/h3-5,7-8,14-15H,1,6,9-11H2,2H3;1-4,7H,5-6H2;2H,1,3-5,8H2
InChIKeyQZRYOUCSMZPROU-UHFFFAOYSA-N
XLogP5.81
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.68
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine?
The IUPAC name of N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine (CID 171097272) is N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine.
What is the SMILES notation for N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine?
The canonical SMILES for N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine is C=C(NCc1ccccc1)C1CCCN1C.C=CCC1=NN=C(CN)C1.Fc1ccccc1C1CC1.
What is the InChIKey of N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine?
The InChIKey is QZRYOUCSMZPROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C9H9F.C7H11N3/c1-12(14-9-6-10-16(14)2)15-11-13-7-4-3-5-8-13;10-9-4-2-1-3-8(9)7-5-6-7;1-2-3-6-4-7(5-8)10-9-6/h3-5,7-8,14-15H,1,6,9-11H2,2H3;1-4,7H,5-6H2;2H,1,3-5,8H2.
What are the key properties of N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine?
N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine has a molecular weight of 489.68 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-methylpyrrolidin-2-yl)ethenamine;1-cyclopropyl-2-fluorobenzene;(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine is sourced from PubChem (CID 171097272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).