2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C17H18N4O — CID 3773288

IUPAC2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C17H18N4O/c1-12-16(13(2)20(3)19-12)18-17(22)14-8-4-5-9-15(14)21-10-6-7-11-21/h4-11H,1-3H3,(H,18,22)
InChIKeyAZOQQGCOIMEALW-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.08
Rot. Bonds3

About 2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 3773288) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID3773288
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C17H18N4O/c1-12-16(13(2)20(3)19-12)18-17(22)14-8-4-5-9-15(14)21-10-6-7-11-21/h4-11H,1-3H3,(H,18,22)
InChIKeyAZOQQGCOIMEALW-UHFFFAOYSA-N
XLogP3.08
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 3773288) is 2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is Cc1nn(C)c(C)c1NC(=O)c1ccccc1-n1cccc1.
What is the InChIKey of 2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is AZOQQGCOIMEALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-16(13(2)20(3)19-12)18-17(22)14-8-4-5-9-15(14)21-10-6-7-11-21/h4-11H,1-3H3,(H,18,22).
What are the key properties of 2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 294.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 3773288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).