5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide

C16H18ClN3O3 — CID 71810184

IUPAC5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C16H18ClN3O3/c1-22-15-3-2-11(17)8-14(15)16(21)19-12-9-18-20(10-12)13-4-6-23-7-5-13/h2-3,8-10,13H,4-7H2,1H3,(H,19,21)
InChIKeyMZFYYYJFJZYJMV-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.15
Rot. Bonds4

About 5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide

5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide (PubChem CID 71810184) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
PubChem CID71810184
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C16H18ClN3O3/c1-22-15-3-2-11(17)8-14(15)16(21)19-12-9-18-20(10-12)13-4-6-23-7-5-13/h2-3,8-10,13H,4-7H2,1H3,(H,19,21)
InChIKeyMZFYYYJFJZYJMV-UHFFFAOYSA-N
XLogP3.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide (CID 71810184) is 5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
The InChIKey is MZFYYYJFJZYJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-22-15-3-2-11(17)8-14(15)16(21)19-12-9-18-20(10-12)13-4-6-23-7-5-13/h2-3,8-10,13H,4-7H2,1H3,(H,19,21).
What are the key properties of 5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide has a molecular weight of 335.79 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 71810184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).