methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate

C7H8ClN3O3 — CID 19479358

IUPACmethyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1[nH]ncc1Cl
InChIInChI=1S/C7H8ClN3O3/c1-14-5(12)3-9-7(13)6-4(8)2-10-11-6/h2H,3H2,1H3,(H,9,13)(H,10,11)
InChIKeySONLNPSQGQDADP-UHFFFAOYSA-N
MW217.61 g/mol
LogP-0.03
Rot. Bonds3

About methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate

methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate (PubChem CID 19479358) has the molecular formula C7H8ClN3O3 and a molecular weight of 217.61 g/mol. Its IUPAC name is methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate
PubChem CID19479358
Molecular FormulaC7H8ClN3O3
Molecular Weight217.61 g/mol
Exact Mass217.03
IUPAC Namemethyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1[nH]ncc1Cl
InChIInChI=1S/C7H8ClN3O3/c1-14-5(12)3-9-7(13)6-4(8)2-10-11-6/h2H,3H2,1H3,(H,9,13)(H,10,11)
InChIKeySONLNPSQGQDADP-UHFFFAOYSA-N
XLogP-0.03
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate (CID 19479358) is methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate is COC(=O)CNC(=O)c1[nH]ncc1Cl.
What is the InChIKey of methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate?
The InChIKey is SONLNPSQGQDADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O3/c1-14-5(12)3-9-7(13)6-4(8)2-10-11-6/h2H,3H2,1H3,(H,9,13)(H,10,11).
What are the key properties of methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate?
methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate has a molecular weight of 217.61 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 19479358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).