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

C11H15N3O3 — CID 47291837

IUPACmethyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)C2CCC2)cn1
InChIInChI=1S/C11H15N3O3/c1-17-10(15)7-14-6-9(5-12-14)13-11(16)8-3-2-4-8/h5-6,8H,2-4,7H2,1H3,(H,13,16)
InChIKeyKFVGEWXWWMJGGD-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.79
Rot. Bonds4

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

methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate (PubChem CID 47291837) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
PubChem CID47291837
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)C2CCC2)cn1
InChIInChI=1S/C11H15N3O3/c1-17-10(15)7-14-6-9(5-12-14)13-11(16)8-3-2-4-8/h5-6,8H,2-4,7H2,1H3,(H,13,16)
InChIKeyKFVGEWXWWMJGGD-UHFFFAOYSA-N
XLogP0.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate
CID 93440590
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 54863112
methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate
CID 47291922
methyl 2-[4-[[2-(thian-4-yl)acetyl]amino]pyrazol-1-yl]acetate
CID 80709747
methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
CID 54904175
2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 61285380
(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 81124070
3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119728671
2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61018636
methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate
CID 61017871
9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986139

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate (CID 47291837) is methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate is COC(=O)Cn1cc(NC(=O)C2CCC2)cn1.
What is the InChIKey of methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate?
The InChIKey is KFVGEWXWWMJGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-10(15)7-14-6-9(5-12-14)13-11(16)8-3-2-4-8/h5-6,8H,2-4,7H2,1H3,(H,13,16).
What are the key properties of methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate?
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate has a molecular weight of 237.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate is sourced from PubChem (CID 47291837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).