(Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine

C16H22N4 — CID 155445696

IUPAC(Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine
SMILESC=C1C(C(C)C)=C(C)Nc2c(C(=C/C)/C=N/C)cnn21
InChIInChI=1S/C16H22N4/c1-7-13(8-17-6)14-9-18-20-12(5)15(10(2)3)11(4)19-16(14)20/h7-10,19H,5H2,1-4,6H3/b13-7+,17-8+
InChIKeyWVVMFOAXCKBEJW-YRCZXOBCSA-N
MW270.38 g/mol
LogP3.81
Rot. Bonds3

About (Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine

(Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine (PubChem CID 155445696) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is (Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine
PubChem CID155445696
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name(Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine
SMILESC=C1C(C(C)C)=C(C)Nc2c(C(=C/C)/C=N/C)cnn21
InChIInChI=1S/C16H22N4/c1-7-13(8-17-6)14-9-18-20-12(5)15(10(2)3)11(4)19-16(14)20/h7-10,19H,5H2,1-4,6H3/b13-7+,17-8+
InChIKeyWVVMFOAXCKBEJW-YRCZXOBCSA-N
XLogP3.81
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine 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 (Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine (CID 155445696) is (Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine is C=C1C(C(C)C)=C(C)Nc2c(C(=C/C)/C=N/C)cnn21.
What is the InChIKey of (Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine?
The InChIKey is WVVMFOAXCKBEJW-YRCZXOBCSA-N. The full InChI is InChI=1S/C16H22N4/c1-7-13(8-17-6)14-9-18-20-12(5)15(10(2)3)11(4)19-16(14)20/h7-10,19H,5H2,1-4,6H3/b13-7+,17-8+.
What are the key properties of (Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine?
(Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine has a molecular weight of 270.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-(5-methyl-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)but-2-en-1-imine is sourced from PubChem (CID 155445696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).