4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide

C15H19N3O2 — CID 47285881

IUPAC4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCC(C)OCc1ccc(C(=O)NCc2ccn[nH]2)cc1
InChIInChI=1S/C15H19N3O2/c1-11(2)20-10-12-3-5-13(6-4-12)15(19)16-9-14-7-8-17-18-14/h3-8,11H,9-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOXKLJCCEZLEAPA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.26
Rot. Bonds6

About 4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide

4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 47285881) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID47285881
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCC(C)OCc1ccc(C(=O)NCc2ccn[nH]2)cc1
InChIInChI=1S/C15H19N3O2/c1-11(2)20-10-12-3-5-13(6-4-12)15(19)16-9-14-7-8-17-18-14/h3-8,11H,9-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOXKLJCCEZLEAPA-UHFFFAOYSA-N
XLogP2.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 47285881) is 4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide is CC(C)OCc1ccc(C(=O)NCc2ccn[nH]2)cc1.
What is the InChIKey of 4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is OXKLJCCEZLEAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)20-10-12-3-5-13(6-4-12)15(19)16-9-14-7-8-17-18-14/h3-8,11H,9-10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide?
4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxymethyl)-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 47285881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).