4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

C14H17N3O2 — CID 60736053

IUPAC4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCOCc1ccc(C(=O)NCc2cn[nH]c2C)cc1
InChIInChI=1S/C14H17N3O2/c1-10-13(8-16-17-10)7-15-14(18)12-5-3-11(4-6-12)9-19-2/h3-6,8H,7,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVISBNVQQBBHRQI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.79
Rot. Bonds5

About 4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (PubChem CID 60736053) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
PubChem CID60736053
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCOCc1ccc(C(=O)NCc2cn[nH]c2C)cc1
InChIInChI=1S/C14H17N3O2/c1-10-13(8-16-17-10)7-15-14(18)12-5-3-11(4-6-12)9-19-2/h3-6,8H,7,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVISBNVQQBBHRQI-UHFFFAOYSA-N
XLogP1.79
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (CID 60736053) is 4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is COCc1ccc(C(=O)NCc2cn[nH]c2C)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The InChIKey is VISBNVQQBBHRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-13(8-16-17-10)7-15-14(18)12-5-3-11(4-6-12)9-19-2/h3-6,8H,7,9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 60736053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).