3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide

C12H13N3O2 — CID 43429655

IUPAC3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cn[nH]c2)ccc1C
InChIInChI=1S/C12H13N3O2/c1-8-3-4-9(5-11(8)17-2)12(16)15-10-6-13-14-7-10/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyMXWPCPUPMUZYFF-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.98
Rot. Bonds3

About 3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide

3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 43429655) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide
PubChem CID43429655
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cn[nH]c2)ccc1C
InChIInChI=1S/C12H13N3O2/c1-8-3-4-9(5-11(8)17-2)12(16)15-10-6-13-14-7-10/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyMXWPCPUPMUZYFF-UHFFFAOYSA-N
XLogP1.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide (CID 43429655) is 3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide is COc1cc(C(=O)Nc2cn[nH]c2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is MXWPCPUPMUZYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-3-4-9(5-11(8)17-2)12(16)15-10-6-13-14-7-10/h3-7H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide?
3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 231.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 43429655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).