5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide

C11H10ClN3O2 — CID 43429271

IUPAC5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H10ClN3O2/c1-17-10-3-2-7(12)4-9(10)11(16)15-8-5-13-14-6-8/h2-6H,1H3,(H,13,14)(H,15,16)
InChIKeyXLSQQJUKMZDTHD-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.32
Rot. Bonds3

About 5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide

5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 43429271) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide
PubChem CID43429271
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H10ClN3O2/c1-17-10-3-2-7(12)4-9(10)11(16)15-8-5-13-14-6-8/h2-6H,1H3,(H,13,14)(H,15,16)
InChIKeyXLSQQJUKMZDTHD-UHFFFAOYSA-N
XLogP2.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide (CID 43429271) is 5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide is COc1ccc(Cl)cc1C(=O)Nc1cn[nH]c1.
What is the InChIKey of 5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is XLSQQJUKMZDTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-17-10-3-2-7(12)4-9(10)11(16)15-8-5-13-14-6-8/h2-6H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide?
5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 251.67 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 43429271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).