3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide

C31H37Cl2N5O — CID 11721085

IUPAC3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C31H37Cl2N5O/c1-4-37(5-2)16-8-9-22(3)35-31(39)14-15-34-30-21-29(25-17-26(32)20-27(33)18-25)36-38(30)28-13-12-23-10-6-7-11-24(23)19-28/h6-7,10-13,17-22,34H,4-5,8-9,14-16H2,1-3H3,(H,35,39)
InChIKeyYEMCMLVTIDTYOE-UHFFFAOYSA-N
MW566.58 g/mol
LogP7.43
Rot. Bonds13

About 3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide

3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide (PubChem CID 11721085) has the molecular formula C31H37Cl2N5O and a molecular weight of 566.58 g/mol. Its IUPAC name is 3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide.

Molecular Properties

Compound Name3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide
PubChem CID11721085
Molecular FormulaC31H37Cl2N5O
Molecular Weight566.58 g/mol
Exact Mass565.24
IUPAC Name3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C31H37Cl2N5O/c1-4-37(5-2)16-8-9-22(3)35-31(39)14-15-34-30-21-29(25-17-26(32)20-27(33)18-25)36-38(30)28-13-12-23-10-6-7-11-24(23)19-28/h6-7,10-13,17-22,34H,4-5,8-9,14-16H2,1-3H3,(H,35,39)
InChIKeyYEMCMLVTIDTYOE-UHFFFAOYSA-N
XLogP7.43
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.58
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide 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 3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide?
The IUPAC name of 3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide (CID 11721085) is 3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide.
What is the SMILES notation for 3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide?
The canonical SMILES for 3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide is CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1.
What is the InChIKey of 3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide?
The InChIKey is YEMCMLVTIDTYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37Cl2N5O/c1-4-37(5-2)16-8-9-22(3)35-31(39)14-15-34-30-21-29(25-17-26(32)20-27(33)18-25)36-38(30)28-13-12-23-10-6-7-11-24(23)19-28/h6-7,10-13,17-22,34H,4-5,8-9,14-16H2,1-3H3,(H,35,39).
What are the key properties of 3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide?
3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide has a molecular weight of 566.58 g/mol, XLogP of 7.43, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]amino]-N-[5-(diethylamino)pentan-2-yl]propanamide is sourced from PubChem (CID 11721085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).