methyl 3-acetamido-1H-pyrazole-5-carboxylate

C7H9N3O3 — CID 44598168

IUPACmethyl 3-acetamido-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NC(C)=O)n[nH]1
InChIInChI=1S/C7H9N3O3/c1-4(11)8-6-3-5(9-10-6)7(12)13-2/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyYOBQQSNOZUVLJW-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.15
Rot. Bonds2

About methyl 3-acetamido-1H-pyrazole-5-carboxylate

methyl 3-acetamido-1H-pyrazole-5-carboxylate (PubChem CID 44598168) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is methyl 3-acetamido-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetamido-1H-pyrazole-5-carboxylate
PubChem CID44598168
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Namemethyl 3-acetamido-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NC(C)=O)n[nH]1
InChIInChI=1S/C7H9N3O3/c1-4(11)8-6-3-5(9-10-6)7(12)13-2/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyYOBQQSNOZUVLJW-UHFFFAOYSA-N
XLogP0.15
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate
CID 12073867
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
methyl 3-methanethioyloxy-1H-pyrazole-5-carboxylate
CID 18549791
methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 154024628
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
methyl 3-[[(2S)-3-methyl-2-[(5-nitro-1H-pyrazole-3-carbonyl)amino]butanoyl]amino]-1H-pyrazole-5-carboxylate
CID 135497087
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528247
N-[4-(3-acetamido-1H-pyrazol-5-yl)phenyl]acetamide
CID 2268930
methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate
CID 163295198
methyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate
CID 4737236

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetamido-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-acetamido-1H-pyrazole-5-carboxylate (CID 44598168) is methyl 3-acetamido-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-acetamido-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-acetamido-1H-pyrazole-5-carboxylate is COC(=O)c1cc(NC(C)=O)n[nH]1.
What is the InChIKey of methyl 3-acetamido-1H-pyrazole-5-carboxylate?
The InChIKey is YOBQQSNOZUVLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4(11)8-6-3-5(9-10-6)7(12)13-2/h3H,1-2H3,(H2,8,9,10,11).
What are the key properties of methyl 3-acetamido-1H-pyrazole-5-carboxylate?
methyl 3-acetamido-1H-pyrazole-5-carboxylate has a molecular weight of 183.17 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetamido-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 44598168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).