3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide

C28H26N4O2 — CID 55862192

IUPAC3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H26N4O2/c1-19-15-16-21(17-24(19)30-28(34)20-9-4-2-5-10-20)27(33)29-18-25-23-13-8-14-26(23)32(31-25)22-11-6-3-7-12-22/h2-7,9-12,15-17H,8,13-14,18H2,1H3,(H,29,33)(H,30,34)
InChIKeyUEKAPUOIHBHEJH-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.85
Rot. Bonds6

About 3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide

3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide (PubChem CID 55862192) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide
PubChem CID55862192
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H26N4O2/c1-19-15-16-21(17-24(19)30-28(34)20-9-4-2-5-10-20)27(33)29-18-25-23-13-8-14-26(23)32(31-25)22-11-6-3-7-12-22/h2-7,9-12,15-17H,8,13-14,18H2,1H3,(H,29,33)(H,30,34)
InChIKeyUEKAPUOIHBHEJH-UHFFFAOYSA-N
XLogP4.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55862319
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide
CID 55891781
6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide
CID 60526390
7-chloro-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 55863328
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiomorpholine-4-carboxamide
CID 71938738
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride
CID 120986692
3-(5-methylfuran-2-yl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]prop-2-enamide
CID 91942509
4-ethoxy-N-[3-methyl-1-oxo-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methylamino]butan-2-yl]benzamide
CID 55891143

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide (CID 55862192) is 3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide?
The InChIKey is UEKAPUOIHBHEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-19-15-16-21(17-24(19)30-28(34)20-9-4-2-5-10-20)27(33)29-18-25-23-13-8-14-26(23)32(31-25)22-11-6-3-7-12-22/h2-7,9-12,15-17H,8,13-14,18H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide?
3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 55862192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).