4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide

C32H38Cl2N4O — CID 11570431

IUPAC4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C32H38Cl2N4O/c1-4-37(5-2)17-9-10-23(3)35-32(39)14-8-13-29-22-31(26-18-27(33)21-28(34)19-26)36-38(29)30-16-15-24-11-6-7-12-25(24)20-30/h6-7,11-12,15-16,18-23H,4-5,8-10,13-14,17H2,1-3H3,(H,35,39)
InChIKeyLFEZDWBBQLHEMC-UHFFFAOYSA-N
MW565.59 g/mol
LogP7.95
Rot. Bonds13

About 4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide

4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide (PubChem CID 11570431) has the molecular formula C32H38Cl2N4O and a molecular weight of 565.59 g/mol. Its IUPAC name is 4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide.

Molecular Properties

Compound Name4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide
PubChem CID11570431
Molecular FormulaC32H38Cl2N4O
Molecular Weight565.59 g/mol
Exact Mass564.24
IUPAC Name4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C32H38Cl2N4O/c1-4-37(5-2)17-9-10-23(3)35-32(39)14-8-13-29-22-31(26-18-27(33)21-28(34)19-26)36-38(29)30-16-15-24-11-6-7-12-25(24)20-30/h6-7,11-12,15-16,18-23H,4-5,8-10,13-14,17H2,1-3H3,(H,35,39)
InChIKeyLFEZDWBBQLHEMC-UHFFFAOYSA-N
XLogP7.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.59
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide?
The IUPAC name of 4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide (CID 11570431) is 4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide.
What is the SMILES notation for 4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide?
The canonical SMILES for 4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide is CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1.
What is the InChIKey of 4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide?
The InChIKey is LFEZDWBBQLHEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38Cl2N4O/c1-4-37(5-2)17-9-10-23(3)35-32(39)14-8-13-29-22-31(26-18-27(33)21-28(34)19-26)36-38(29)30-16-15-24-11-6-7-12-25(24)20-30/h6-7,11-12,15-16,18-23H,4-5,8-10,13-14,17H2,1-3H3,(H,35,39).
What are the key properties of 4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide?
4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide has a molecular weight of 565.59 g/mol, XLogP of 7.95, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dichlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide is sourced from PubChem (CID 11570431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).