N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide

C32H38N6O4 — CID 23853815

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide
SMILESCc1c(NC(=O)CC2(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CCCCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C32H38N6O4/c1-22-28(30(41)37(35(22)3)24-14-8-5-9-15-24)33-26(39)20-32(18-12-7-13-19-32)21-27(40)34-29-23(2)36(4)38(31(29)42)25-16-10-6-11-17-25/h5-6,8-11,14-17H,7,12-13,18-21H2,1-4H3,(H,33,39)(H,34,40)
InChIKeyIQAIHHSZYDNWFN-UHFFFAOYSA-N
MW570.69 g/mol
LogP4.59
Rot. Bonds8

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide (PubChem CID 23853815) has the molecular formula C32H38N6O4 and a molecular weight of 570.69 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide
PubChem CID23853815
Molecular FormulaC32H38N6O4
Molecular Weight570.69 g/mol
Exact Mass570.30
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide
SMILESCc1c(NC(=O)CC2(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CCCCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C32H38N6O4/c1-22-28(30(41)37(35(22)3)24-14-8-5-9-15-24)33-26(39)20-32(18-12-7-13-19-32)21-27(40)34-29-23(2)36(4)38(31(29)42)25-16-10-6-11-17-25/h5-6,8-11,14-17H,7,12-13,18-21H2,1-4H3,(H,33,39)(H,34,40)
InChIKeyIQAIHHSZYDNWFN-UHFFFAOYSA-N
XLogP4.59
TPSA112.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.69
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide (CID 23853815) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide is Cc1c(NC(=O)CC2(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CCCCC2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide?
The InChIKey is IQAIHHSZYDNWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O4/c1-22-28(30(41)37(35(22)3)24-14-8-5-9-15-24)33-26(39)20-32(18-12-7-13-19-32)21-27(40)34-29-23(2)36(4)38(31(29)42)25-16-10-6-11-17-25/h5-6,8-11,14-17H,7,12-13,18-21H2,1-4H3,(H,33,39)(H,34,40).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide has a molecular weight of 570.69 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide is sourced from PubChem (CID 23853815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).