4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide

C19H15N5O — CID 37044281

IUPAC4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H15N5O/c25-19(14-5-7-17(8-6-14)24-12-2-10-21-24)22-16-4-1-3-15(13-16)18-9-11-20-23-18/h1-13H,(H,20,23)(H,22,25)
InChIKeyHOMNPIHNBHOCIP-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.51
Rot. Bonds4

About 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide

4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide (PubChem CID 37044281) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
PubChem CID37044281
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H15N5O/c25-19(14-5-7-17(8-6-14)24-12-2-10-21-24)22-16-4-1-3-15(13-16)18-9-11-20-23-18/h1-13H,(H,20,23)(H,22,25)
InChIKeyHOMNPIHNBHOCIP-UHFFFAOYSA-N
XLogP3.51
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide (CID 37044281) is 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The InChIKey is HOMNPIHNBHOCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c25-19(14-5-7-17(8-6-14)24-12-2-10-21-24)22-16-4-1-3-15(13-16)18-9-11-20-23-18/h1-13H,(H,20,23)(H,22,25).
What are the key properties of 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 37044281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).