N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine

C16H19Cl2N3 — CID 66440263

IUPACN-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)c1c(CNC2CC2)cnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3/c1-10(2)16-11(8-19-13-4-5-13)9-20-21(16)15-6-3-12(17)7-14(15)18/h3,6-7,9-10,13,19H,4-5,8H2,1-2H3
InChIKeyPKNYJFSOTYXPFX-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.55
Rot. Bonds5

About N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66440263) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66440263
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC NameN-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)c1c(CNC2CC2)cnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3/c1-10(2)16-11(8-19-13-4-5-13)9-20-21(16)15-6-3-12(17)7-14(15)18/h3,6-7,9-10,13,19H,4-5,8H2,1-2H3
InChIKeyPKNYJFSOTYXPFX-UHFFFAOYSA-N
XLogP4.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine 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-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine (CID 66440263) is N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine is CC(C)c1c(CNC2CC2)cnn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is PKNYJFSOTYXPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-10(2)16-11(8-19-13-4-5-13)9-20-21(16)15-6-3-12(17)7-14(15)18/h3,6-7,9-10,13,19H,4-5,8H2,1-2H3.
What are the key properties of N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 324.26 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66440263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).