N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide

C15H19N3O2 — CID 104620011

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(CO)cc2)n[nH]1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)12-8-13(18-17-12)16-14(20)11-6-4-10(9-19)5-7-11/h4-8,19H,9H2,1-3H3,(H2,16,17,18,20)
InChIKeyGKJIBPZLJGBEOA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.45
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide (PubChem CID 104620011) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide
PubChem CID104620011
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(CO)cc2)n[nH]1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)12-8-13(18-17-12)16-14(20)11-6-4-10(9-19)5-7-11/h4-8,19H,9H2,1-3H3,(H2,16,17,18,20)
InChIKeyGKJIBPZLJGBEOA-UHFFFAOYSA-N
XLogP2.45
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-tert-butyl-1H-pyrazol-3-yl)-5-ethylfuran-2-carboxamide
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2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
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N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
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4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide
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N-(5-tert-butyl-1H-pyrazol-3-yl)-9-oxofluorene-2-carboxamide
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3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide (CID 104620011) is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide is CC(C)(C)c1cc(NC(=O)c2ccc(CO)cc2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide?
The InChIKey is GKJIBPZLJGBEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)12-8-13(18-17-12)16-14(20)11-6-4-10(9-19)5-7-11/h4-8,19H,9H2,1-3H3,(H2,16,17,18,20).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 104620011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).