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

C17H18N4O — CID 38105280

IUPAC3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H18N4O/c1-12-16(13(2)20(3)19-12)18-17(22)14-7-6-8-15(11-14)21-9-4-5-10-21/h4-11H,1-3H3,(H,18,22)
InChIKeyJJXRZPKYPFZUOY-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.08
Rot. Bonds3

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

3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 38105280) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID38105280
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H18N4O/c1-12-16(13(2)20(3)19-12)18-17(22)14-7-6-8-15(11-14)21-9-4-5-10-21/h4-11H,1-3H3,(H,18,22)
InChIKeyJJXRZPKYPFZUOY-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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Related Compounds

2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 3773288
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
3-chloro-4-iodo-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 103734754
3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 169414815
3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 169412556
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-pyrrol-1-ylbenzamide
CID 112805877
3-[(3-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393406
3-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 9247878
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
CID 60605662
3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 95197031
3-[(4-chloro-2-methylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393502

Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 38105280) is 3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is Cc1nn(C)c(C)c1NC(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of 3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is JJXRZPKYPFZUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-16(13(2)20(3)19-12)18-17(22)14-7-6-8-15(11-14)21-9-4-5-10-21/h4-11H,1-3H3,(H,18,22).
What are the key properties of 3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
3-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 3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 38105280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).