methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate

C11H16N4O4 — CID 54904242

IUPACmethyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)C(C)NC(C)=O)cn1
InChIInChI=1S/C11H16N4O4/c1-7(13-8(2)16)11(18)14-9-4-12-15(5-9)6-10(17)19-3/h4-5,7H,6H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyVNMRJCGNMHFNDG-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.48
Rot. Bonds5

About methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate

methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate (PubChem CID 54904242) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate
PubChem CID54904242
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)C(C)NC(C)=O)cn1
InChIInChI=1S/C11H16N4O4/c1-7(13-8(2)16)11(18)14-9-4-12-15(5-9)6-10(17)19-3/h4-5,7H,6H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyVNMRJCGNMHFNDG-UHFFFAOYSA-N
XLogP-0.48
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid
CID 61018489
methyl 2-(4-propan-2-ylpyrazol-1-yl)acetate
CID 153333099
methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
CID 54904175
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate
CID 61018002
methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate
CID 61017975
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
methyl 2-[4-[(3,4-dihydroxybenzoyl)amino]pyrazol-1-yl]acetate
CID 103956596
methyl 2-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]pyrazol-1-yl]acetate
CID 79166313
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
methyl 2-[4-[[2-(thian-4-yl)acetyl]amino]pyrazol-1-yl]acetate
CID 80709747
methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate
CID 61017369

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate (CID 54904242) is methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate is COC(=O)Cn1cc(NC(=O)C(C)NC(C)=O)cn1.
What is the InChIKey of methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate?
The InChIKey is VNMRJCGNMHFNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7(13-8(2)16)11(18)14-9-4-12-15(5-9)6-10(17)19-3/h4-5,7H,6H2,1-3H3,(H,13,16)(H,14,18).
What are the key properties of methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate?
methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate has a molecular weight of 268.27 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate is sourced from PubChem (CID 54904242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).