methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

C12H18N4O5 — CID 62955204

IUPACmethyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCCc1[nH]nc(C(=O)N(CC(=O)OC)CC(=O)OC)c1N
InChIInChI=1S/C12H18N4O5/c1-4-7-10(13)11(15-14-7)12(19)16(5-8(17)20-2)6-9(18)21-3/h4-6,13H2,1-3H3,(H,14,15)
InChIKeyUHBQPDOWTHFOIM-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.66
Rot. Bonds6

About methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62955204) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62955204
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Namemethyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCCc1[nH]nc(C(=O)N(CC(=O)OC)CC(=O)OC)c1N
InChIInChI=1S/C12H18N4O5/c1-4-7-10(13)11(15-14-7)12(19)16(5-8(17)20-2)6-9(18)21-3/h4-6,13H2,1-3H3,(H,14,15)
InChIKeyUHBQPDOWTHFOIM-UHFFFAOYSA-N
XLogP-0.66
TPSA127.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Related Compounds

methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate
CID 62080806
4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080934
4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide
CID 63695913
4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide
CID 62082355
4-amino-N-[2-(dimethylamino)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 63694755
4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide
CID 114615036
4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide
CID 102694323
4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082354
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62081799
4-amino-5-ethyl-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide
CID 62081656
methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate
CID 62080955

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 62955204) is methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is CCc1[nH]nc(C(=O)N(CC(=O)OC)CC(=O)OC)c1N.
What is the InChIKey of methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is UHBQPDOWTHFOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5/c1-4-7-10(13)11(15-14-7)12(19)16(5-8(17)20-2)6-9(18)21-3/h4-6,13H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 298.30 g/mol, XLogP of -0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62955204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).