N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide

C25H26N4O2 — CID 46472604

IUPACN-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)Cc2ccc(-n3cccn3)cc2)C2CC2)cc1
InChIInChI=1S/C25H26N4O2/c30-24(16-18-4-10-23(11-5-18)29-15-1-14-26-29)28(22-12-13-22)17-19-2-6-20(7-3-19)25(31)27-21-8-9-21/h1-7,10-11,14-15,21-22H,8-9,12-13,16-17H2,(H,27,31)
InChIKeyZNZYXEUUNAAUEE-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.50
Rot. Bonds8

About N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide (PubChem CID 46472604) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
PubChem CID46472604
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)Cc2ccc(-n3cccn3)cc2)C2CC2)cc1
InChIInChI=1S/C25H26N4O2/c30-24(16-18-4-10-23(11-5-18)29-15-1-14-26-29)28(22-12-13-22)17-19-2-6-20(7-3-19)25(31)27-21-8-9-21/h1-7,10-11,14-15,21-22H,8-9,12-13,16-17H2,(H,27,31)
InChIKeyZNZYXEUUNAAUEE-UHFFFAOYSA-N
XLogP3.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46485261
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957
N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide
CID 33342098
N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
CID 38270812
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide
CID 42485205
N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86998215
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]methyl]benzamide
CID 33339728
N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide
CID 34179021
4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55838098
N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide
CID 33342953
3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 60840230

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide (CID 46472604) is N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(C(=O)Cc2ccc(-n3cccn3)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide?
The InChIKey is ZNZYXEUUNAAUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-24(16-18-4-10-23(11-5-18)29-15-1-14-26-29)28(22-12-13-22)17-19-2-6-20(7-3-19)25(31)27-21-8-9-21/h1-7,10-11,14-15,21-22H,8-9,12-13,16-17H2,(H,27,31).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 46472604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).