3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide

C18H16N4O2 — CID 148806956

IUPAC3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-n1ncc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C18H16N4O2/c1-11-7-8-13(18(20)24)9-15(11)22-17(19)14(10-21-22)16(23)12-5-3-2-4-6-12/h2-10H,19H2,1H3,(H2,20,24)
InChIKeyOPDOVDVKPRNJPQ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.09
Rot. Bonds4

About 3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide

3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide (PubChem CID 148806956) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide
PubChem CID148806956
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-n1ncc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C18H16N4O2/c1-11-7-8-13(18(20)24)9-15(11)22-17(19)14(10-21-22)16(23)12-5-3-2-4-6-12/h2-10H,19H2,1H3,(H2,20,24)
InChIKeyOPDOVDVKPRNJPQ-UHFFFAOYSA-N
XLogP2.09
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide?
The IUPAC name of 3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide (CID 148806956) is 3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide.
What is the SMILES notation for 3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide?
The canonical SMILES for 3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide is Cc1ccc(C(N)=O)cc1-n1ncc(C(=O)c2ccccc2)c1N.
What is the InChIKey of 3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide?
The InChIKey is OPDOVDVKPRNJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11-7-8-13(18(20)24)9-15(11)22-17(19)14(10-21-22)16(23)12-5-3-2-4-6-12/h2-10H,19H2,1H3,(H2,20,24).
What are the key properties of 3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide?
3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide has a molecular weight of 320.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide is sourced from PubChem (CID 148806956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).