4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide

C21H19N5O — CID 72879633

IUPAC4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(-c2ccn[nH]2)cc1)c1ccccc1-n1cccn1
InChIInChI=1S/C21H19N5O/c1-15(18-5-2-3-6-20(18)26-14-4-12-23-26)24-21(27)17-9-7-16(8-10-17)19-11-13-22-25-19/h2-15H,1H3,(H,22,25)(H,24,27)
InChIKeyWVVNTSBWJKVQAQ-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.75
Rot. Bonds5

About 4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide

4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide (PubChem CID 72879633) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide
PubChem CID72879633
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(-c2ccn[nH]2)cc1)c1ccccc1-n1cccn1
InChIInChI=1S/C21H19N5O/c1-15(18-5-2-3-6-20(18)26-14-4-12-23-26)24-21(27)17-9-7-16(8-10-17)19-11-13-22-25-19/h2-15H,1H3,(H,22,25)(H,24,27)
InChIKeyWVVNTSBWJKVQAQ-UHFFFAOYSA-N
XLogP3.75
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide (CID 72879633) is 4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(-c2ccn[nH]2)cc1)c1ccccc1-n1cccn1.
What is the InChIKey of 4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is WVVNTSBWJKVQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15(18-5-2-3-6-20(18)26-14-4-12-23-26)24-21(27)17-9-7-16(8-10-17)19-11-13-22-25-19/h2-15H,1H3,(H,22,25)(H,24,27).
What are the key properties of 4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide?
4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 357.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 72879633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).