N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide

C9H15N3O — CID 79026363

IUPACN-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1ccn[nH]1
InChIInChI=1S/C9H15N3O/c1-9(2,3)11-8(13)6-7-4-5-10-12-7/h4-5H,6H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyMOIBMPACJPMSEU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.87
Rot. Bonds2

About N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide

N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 79026363) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
PubChem CID79026363
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1ccn[nH]1
InChIInChI=1S/C9H15N3O/c1-9(2,3)11-8(13)6-7-4-5-10-12-7/h4-5H,6H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyMOIBMPACJPMSEU-UHFFFAOYSA-N
XLogP0.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
CID 112528731
tert-butyl (2R)-3-methyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate
CID 81003264
ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate
CID 79040354
N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide
CID 84575732
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
N-tert-butyl-2-(1H-imidazol-5-yl)acetamide
CID 25128925
N-(5-ethyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 115663310
N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide
CID 75519842
2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
CID 43662218
2-methyl-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79139697
N-(2-hydroxy-4-methylpentyl)-2-(1H-pyrazol-5-yl)acetamide
CID 103770935

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide (CID 79026363) is N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide is CC(C)(C)NC(=O)Cc1ccn[nH]1.
What is the InChIKey of N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is MOIBMPACJPMSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)11-8(13)6-7-4-5-10-12-7/h4-5H,6H2,1-3H3,(H,10,12)(H,11,13).
What are the key properties of N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide?
N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 181.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 79026363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).