N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide

C23H21N5O — CID 11617898

IUPACN-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NCc2cc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C23H21N5O/c29-23(26-15-17-5-2-1-3-6-17)19-7-4-8-20(13-19)25-16-21-14-22(28-27-21)18-9-11-24-12-10-18/h1-14,25H,15-16H2,(H,26,29)(H,27,28)
InChIKeyZEZFDAXYOWUZPP-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.01
Rot. Bonds7

About N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide

N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide (PubChem CID 11617898) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide
PubChem CID11617898
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NCc2cc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C23H21N5O/c29-23(26-15-17-5-2-1-3-6-17)19-7-4-8-20(13-19)25-16-21-14-22(28-27-21)18-9-11-24-12-10-18/h1-14,25H,15-16H2,(H,26,29)(H,27,28)
InChIKeyZEZFDAXYOWUZPP-UHFFFAOYSA-N
XLogP4.01
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide?
The IUPAC name of N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide (CID 11617898) is N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide.
What is the SMILES notation for N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide?
The canonical SMILES for N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide is O=C(NCc1ccccc1)c1cccc(NCc2cc(-c3ccncc3)n[nH]2)c1.
What is the InChIKey of N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide?
The InChIKey is ZEZFDAXYOWUZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c29-23(26-15-17-5-2-1-3-6-17)19-7-4-8-20(13-19)25-16-21-14-22(28-27-21)18-9-11-24-12-10-18/h1-14,25H,15-16H2,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide?
N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide has a molecular weight of 383.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 11617898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).