N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C19H25N3O — CID 60551609

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc3c(c2)CCCC3)n[nH]1
InChIInChI=1S/C19H25N3O/c1-19(2,3)16-12-17(22-21-16)20-18(23)11-13-8-9-14-6-4-5-7-15(14)10-13/h8-10,12H,4-7,11H2,1-3H3,(H2,20,21,22,23)
InChIKeyQVNIKESMJLQMDH-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.77
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 60551609) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID60551609
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc3c(c2)CCCC3)n[nH]1
InChIInChI=1S/C19H25N3O/c1-19(2,3)16-12-17(22-21-16)20-18(23)11-13-8-9-14-6-4-5-7-15(14)10-13/h8-10,12H,4-7,11H2,1-3H3,(H2,20,21,22,23)
InChIKeyQVNIKESMJLQMDH-UHFFFAOYSA-N
XLogP3.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 60551609) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc3c(c2)CCCC3)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is QVNIKESMJLQMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-19(2,3)16-12-17(22-21-16)20-18(23)11-13-8-9-14-6-4-5-7-15(14)10-13/h8-10,12H,4-7,11H2,1-3H3,(H2,20,21,22,23).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 60551609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).