N-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine

C15H19N3 — CID 139421957

IUPACN-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine
SMILESC=C(C)c1cnn(C2=CC=CCC2)c1N=C(C)C
InChIInChI=1S/C15H19N3/c1-11(2)14-10-16-18(15(14)17-12(3)4)13-8-6-5-7-9-13/h5-6,8,10H,1,7,9H2,2-4H3
InChIKeyBQTXAJUBMVVSNC-UHFFFAOYSA-N
MW241.34 g/mol
LogP4.22
Rot. Bonds3

About N-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine

N-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine (PubChem CID 139421957) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine.

Molecular Properties

Compound NameN-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine
PubChem CID139421957
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine
SMILESC=C(C)c1cnn(C2=CC=CCC2)c1N=C(C)C
InChIInChI=1S/C15H19N3/c1-11(2)14-10-16-18(15(14)17-12(3)4)13-8-6-5-7-9-13/h5-6,8,10H,1,7,9H2,2-4H3
InChIKeyBQTXAJUBMVVSNC-UHFFFAOYSA-N
XLogP4.22
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine?
The IUPAC name of N-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine (CID 139421957) is N-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine.
What is the SMILES notation for N-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine?
The canonical SMILES for N-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine is C=C(C)c1cnn(C2=CC=CCC2)c1N=C(C)C.
What is the InChIKey of N-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine?
The InChIKey is BQTXAJUBMVVSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11(2)14-10-16-18(15(14)17-12(3)4)13-8-6-5-7-9-13/h5-6,8,10H,1,7,9H2,2-4H3.
What are the key properties of N-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine?
N-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine has a molecular weight of 241.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexa-1,3-dien-1-yl-4-prop-1-en-2-ylpyrazol-5-yl)propan-2-imine is sourced from PubChem (CID 139421957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).