methyl 2-(1H-pyrazole-5-carbonylamino)acetate

C7H9N3O3 — CID 680913

IUPACmethyl 2-(1H-pyrazole-5-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1ccn[nH]1
InChIInChI=1S/C7H9N3O3/c1-13-6(11)4-8-7(12)5-2-3-9-10-5/h2-3H,4H2,1H3,(H,8,12)(H,9,10)
InChIKeyHSFDTHFNNNKSML-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.69
Rot. Bonds3

About methyl 2-(1H-pyrazole-5-carbonylamino)acetate

methyl 2-(1H-pyrazole-5-carbonylamino)acetate (PubChem CID 680913) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is methyl 2-(1H-pyrazole-5-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-pyrazole-5-carbonylamino)acetate
PubChem CID680913
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Namemethyl 2-(1H-pyrazole-5-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1ccn[nH]1
InChIInChI=1S/C7H9N3O3/c1-13-6(11)4-8-7(12)5-2-3-9-10-5/h2-3H,4H2,1H3,(H,8,12)(H,9,10)
InChIKeyHSFDTHFNNNKSML-UHFFFAOYSA-N
XLogP-0.69
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
1H-Pyrazole-3-carboxamide, N-(2-hydroxyethyl)-
CID 2061007
methyl 4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-7-carboxylate
CID 154872964
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
N-tert-Butyl-1H-pyrazole-5-carboxamide
CID 23279698
Ethane-1,2-diamine, N,N'-bis(3-pyrazolylcarbonyl)-
CID 565685
N-(2-aminoethyl)-1H-pyrazole-5-carboxamide hydrochloride
CID 71758320
4-(1H-pyrazole-5-carbonylamino)butanoic acid
CID 43355123
(2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid
CID 81658947
(4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid
CID 169501706
N,N-diethyl-1H-pyrazole-3-carboxamide
CID 5128709

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-pyrazole-5-carbonylamino)acetate?
The IUPAC name of methyl 2-(1H-pyrazole-5-carbonylamino)acetate (CID 680913) is methyl 2-(1H-pyrazole-5-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(1H-pyrazole-5-carbonylamino)acetate?
The canonical SMILES for methyl 2-(1H-pyrazole-5-carbonylamino)acetate is COC(=O)CNC(=O)c1ccn[nH]1.
What is the InChIKey of methyl 2-(1H-pyrazole-5-carbonylamino)acetate?
The InChIKey is HSFDTHFNNNKSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-13-6(11)4-8-7(12)5-2-3-9-10-5/h2-3H,4H2,1H3,(H,8,12)(H,9,10).
What are the key properties of methyl 2-(1H-pyrazole-5-carbonylamino)acetate?
methyl 2-(1H-pyrazole-5-carbonylamino)acetate has a molecular weight of 183.17 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-pyrazole-5-carbonylamino)acetate is sourced from PubChem (CID 680913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).