N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide

C8H13N3O2 — CID 121371043

IUPACN-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
SMILESCC(=O)NCc1c(C)n(C)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-5-7(4-9-6(2)12)8(13)10-11(5)3/h4H2,1-3H3,(H,9,12)(H,10,13)
InChIKeyBOUJYCGOSGSBCH-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.34
Rot. Bonds2

About N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide

N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 121371043) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID121371043
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
SMILESCC(=O)NCc1c(C)n(C)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-5-7(4-9-6(2)12)8(13)10-11(5)3/h4H2,1-3H3,(H,9,12)(H,10,13)
InChIKeyBOUJYCGOSGSBCH-UHFFFAOYSA-N
XLogP-0.34
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
CID 121368071
ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
CID 144778771
ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide
CID 144778765
ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide
CID 144778788
N-[(7-methyl-5-oxo-[1,2]oxazolo[2,3-a]pyridin-6-yl)methyl]acetamide
CID 121371026
4-[(3,3-dimethylbut-1-en-2-ylamino)methyl]-3-methoxy-2-methyl-1H-pyrazol-5-one
CID 129034007
4-[(3,3-dimethylbut-1-en-2-ylamino)methyl]-2-methyl-3-pyrrolidin-1-yl-1H-pyrazol-5-one
CID 129034037
N-[(2,4,6-trifluorophenyl)methyl]acetamide
CID 110477322
5-chloro-4-(2-cyano-3-pyridazin-4-ylphenoxy)-N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide
CID 130286568
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
2,5-dimethyl-4-(2-oxopropyl)-1H-pyrazol-3-one
CID 59961911
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide (CID 121371043) is N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide is CC(=O)NCc1c(C)n(C)[nH]c1=O.
What is the InChIKey of N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is BOUJYCGOSGSBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-7(4-9-6(2)12)8(13)10-11(5)3/h4H2,1-3H3,(H,9,12)(H,10,13).
What are the key properties of N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide?
N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 183.21 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 121371043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).