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

C13H14ClN3O — CID 703686

IUPAC4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-8-12(9(2)17(3)16-8)15-13(18)10-4-6-11(14)7-5-10/h4-7H,1-3H3,(H,15,18)
InChIKeySHXIMZBLLKKQHA-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.94
Rot. Bonds2

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

4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 703686) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID703686
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-8-12(9(2)17(3)16-8)15-13(18)10-4-6-11(14)7-5-10/h4-7H,1-3H3,(H,15,18)
InChIKeySHXIMZBLLKKQHA-UHFFFAOYSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 703686) is 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is Cc1nn(C)c(C)c1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is SHXIMZBLLKKQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-12(9(2)17(3)16-8)15-13(18)10-4-6-11(14)7-5-10/h4-7H,1-3H3,(H,15,18).
What are the key properties of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 263.73 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 703686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).