2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide

C26H26N4O — CID 112804434

IUPAC2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CNc3ccc4c5c(cccc35)CC4)c2C)cc1
InChIInChI=1S/C26H26N4O/c1-16-7-12-21(13-8-16)30-18(3)26(17(2)29-30)28-24(31)15-27-23-14-11-20-10-9-19-5-4-6-22(23)25(19)20/h4-8,11-14,27H,9-10,15H2,1-3H3,(H,28,31)
InChIKeyPRYWPNIBBFOQDM-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.10
Rot. Bonds5

About 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide

2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide (PubChem CID 112804434) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
PubChem CID112804434
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CNc3ccc4c5c(cccc35)CC4)c2C)cc1
InChIInChI=1S/C26H26N4O/c1-16-7-12-21(13-8-16)30-18(3)26(17(2)29-30)28-24(31)15-27-23-14-11-20-10-9-19-5-4-6-22(23)25(19)20/h4-8,11-14,27H,9-10,15H2,1-3H3,(H,28,31)
InChIKeyPRYWPNIBBFOQDM-UHFFFAOYSA-N
XLogP5.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide (CID 112804434) is 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide is Cc1ccc(-n2nc(C)c(NC(=O)CNc3ccc4c5c(cccc35)CC4)c2C)cc1.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide?
The InChIKey is PRYWPNIBBFOQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-16-7-12-21(13-8-16)30-18(3)26(17(2)29-30)28-24(31)15-27-23-14-11-20-10-9-19-5-4-6-22(23)25(19)20/h4-8,11-14,27H,9-10,15H2,1-3H3,(H,28,31).
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide?
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 112804434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).