3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide

C27H26N4O2 — CID 52719151

IUPAC3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCc1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C27H26N4O2/c32-26(18-25(22-10-3-1-4-11-22)23-12-5-2-6-13-23)28-19-21-9-7-14-24(17-21)30-27(33)20-31-16-8-15-29-31/h1-17,25H,18-20H2,(H,28,32)(H,30,33)
InChIKeyPPBXGNKAHZLDNM-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.36
Rot. Bonds9

About 3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide

3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide (PubChem CID 52719151) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
PubChem CID52719151
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCc1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C27H26N4O2/c32-26(18-25(22-10-3-1-4-11-22)23-12-5-2-6-13-23)28-19-21-9-7-14-24(17-21)30-27(33)20-31-16-8-15-29-31/h1-17,25H,18-20H2,(H,28,32)(H,30,33)
InChIKeyPPBXGNKAHZLDNM-UHFFFAOYSA-N
XLogP4.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 110955024
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]azocane-1-carboxamide
CID 87037167
2-amino-3-methoxy-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 120986988
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55953532
1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55979110
N-[3-[[[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide;hydroiodide
CID 111403146
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
N-[3-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 87037168
N-[3-[[[N-[(3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 111877623
2-chloro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]cyclohexene-1-carboxamide
CID 71886224
N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 86841993
2-(4-piperidin-1-ylsulfonylphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]acetamide
CID 55978727

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide?
The IUPAC name of 3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide (CID 52719151) is 3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide.
What is the SMILES notation for 3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide?
The canonical SMILES for 3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide is O=C(CC(c1ccccc1)c1ccccc1)NCc1cccc(NC(=O)Cn2cccn2)c1.
What is the InChIKey of 3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide?
The InChIKey is PPBXGNKAHZLDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c32-26(18-25(22-10-3-1-4-11-22)23-12-5-2-6-13-23)28-19-21-9-7-14-24(17-21)30-27(33)20-31-16-8-15-29-31/h1-17,25H,18-20H2,(H,28,32)(H,30,33).
What are the key properties of 3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide?
3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide has a molecular weight of 438.53 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide is sourced from PubChem (CID 52719151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).