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

C11H18N4O3 — CID 62080806

IUPACmethyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate
SMILESCCc1[nH]nc(C(=O)N(CC)CC(=O)OC)c1N
InChIInChI=1S/C11H18N4O3/c1-4-7-9(12)10(14-13-7)11(17)15(5-2)6-8(16)18-3/h4-6,12H2,1-3H3,(H,13,14)
InChIKeyZQFIGWNFLRGPII-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.19
Rot. Bonds5

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

methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate (PubChem CID 62080806) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate
PubChem CID62080806
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Namemethyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate
SMILESCCc1[nH]nc(C(=O)N(CC)CC(=O)OC)c1N
InChIInChI=1S/C11H18N4O3/c1-4-7-9(12)10(14-13-7)11(17)15(5-2)6-8(16)18-3/h4-6,12H2,1-3H3,(H,13,14)
InChIKeyZQFIGWNFLRGPII-UHFFFAOYSA-N
XLogP0.19
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955204
4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide
CID 63695913
4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080934
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
4-amino-N-[2-(dimethylamino)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 63694755
4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 62082868
4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide
CID 62082355
4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62080957
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-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62081799

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate (CID 62080806) is methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate is CCc1[nH]nc(C(=O)N(CC)CC(=O)OC)c1N.
What is the InChIKey of methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate?
The InChIKey is ZQFIGWNFLRGPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-7-9(12)10(14-13-7)11(17)15(5-2)6-8(16)18-3/h4-6,12H2,1-3H3,(H,13,14).
What are the key properties of methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate?
methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate has a molecular weight of 254.29 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate is sourced from PubChem (CID 62080806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).