ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate

C9H13N3O3 — CID 47257276

IUPACethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cnn(C)c1
InChIInChI=1S/C9H13N3O3/c1-3-15-8(13)5-10-9(14)7-4-11-12(2)6-7/h4,6H,3,5H2,1-2H3,(H,10,14)
InChIKeyNVZMEFLAAVHGFI-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.29
Rot. Bonds4

About ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate

ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate (PubChem CID 47257276) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate
PubChem CID47257276
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Nameethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cnn(C)c1
InChIInChI=1S/C9H13N3O3/c1-3-15-8(13)5-10-9(14)7-4-11-12(2)6-7/h4,6H,3,5H2,1-2H3,(H,10,14)
InChIKeyNVZMEFLAAVHGFI-UHFFFAOYSA-N
XLogP-0.29
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-formyl-1H-pyrazol-1-yl)ethyl acetate
CID 54593338
tert-butyl 2-(4-formyl-1H-pyrazol-1-yl)acetate
CID 88975469
N,1-diethyl-N-[3-(4-morpholinyl)propyl]-1H-pyrazole-4-carboxamide trifluoroacetate
CID 28392279
(1-Ethylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 35762493
methyl 3-(4-carbamoyl-1H-pyrazol-1-yl)propanoate
CID 50896619
methyl 2-{[(1-methyl-1H-pyrazol-4-yl)methyl]amino}acetate hydrochloride
CID 54592896
Diethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanedioate
CID 33247932
N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 51073398
N-(1-methoxypropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 53532136
Ethyl 2-[cyclopropylmethyl-[3-(4-methylpyrazol-1-yl)propanoyl]amino]acetate
CID 53563933
Ethyl 2-[(1-methylpyrazole-4-carbonyl)-propylamino]acetate
CID 54898713
Ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate
CID 54901462

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate (CID 47257276) is ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1cnn(C)c1.
What is the InChIKey of ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate?
The InChIKey is NVZMEFLAAVHGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-15-8(13)5-10-9(14)7-4-11-12(2)6-7/h4,6H,3,5H2,1-2H3,(H,10,14).
What are the key properties of ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate?
ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate has a molecular weight of 211.22 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 47257276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).