N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide

C10H15N3O — CID 157037255

IUPACN-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(C2CCC2)n[nH]1
InChIInChI=1S/C10H15N3O/c1-7(14)11-6-9-5-10(13-12-9)8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyNLNJELNEDIYQHS-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.31
Rot. Bonds3

About N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide

N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 157037255) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
PubChem CID157037255
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(C2CCC2)n[nH]1
InChIInChI=1S/C10H15N3O/c1-7(14)11-6-9-5-10(13-12-9)8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyNLNJELNEDIYQHS-UHFFFAOYSA-N
XLogP1.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide
CID 171523613
(5R,7S)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111564
acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 154888133
1-[3-(azetidin-3-yl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 165458737
2-(6-aminopurin-9-yl)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
CID 166341956
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 46963475
(1S)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 126430951
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 119062704
(2S)-2-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]propane-1,2-diamine
CID 104867760
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-[(2R)-oxolane-2-carbonyl]-1,4-diazepane-1-carboxamide
CID 126444357
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-[(2S)-oxolane-2-carbonyl]-1,4-diazepane-1-carboxamide
CID 126444356
3-cyclohexyl-5-methyl-1H-pyrazole;ethane
CID 144662747

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide?
The IUPAC name of N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide (CID 157037255) is N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide?
The canonical SMILES for N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide is CC(=O)NCc1cc(C2CCC2)n[nH]1.
What is the InChIKey of N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide?
The InChIKey is NLNJELNEDIYQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(14)11-6-9-5-10(13-12-9)8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide?
N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 193.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 157037255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).