ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate

C8H13N3O2 — CID 7176034

IUPACethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)cc1N
InChIInChI=1S/C8H13N3O2/c1-3-13-8(12)5-11-7(9)4-6(2)10-11/h4H,3,5,9H2,1-2H3
InChIKeyGTQNYOZGFCLNHM-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.34
Rot. Bonds3

About ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate

ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate (PubChem CID 7176034) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate
PubChem CID7176034
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Nameethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)cc1N
InChIInChI=1S/C8H13N3O2/c1-3-13-8(12)5-11-7(9)4-6(2)10-11/h4H,3,5,9H2,1-2H3
InChIKeyGTQNYOZGFCLNHM-UHFFFAOYSA-N
XLogP0.34
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Amino-3-methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 5018373
ethyl 2-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)acetate
CID 59345794
2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 47000728
Methyl 2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetate
CID 50999529
2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 75481546
1-{2-[2-(2-aminoethyl)-4-morpholinyl]-2-oxoethyl}-3-methyl-1H-pyrazol-5-amine hydrochloride
CID 90647941
(5-amino-3-methyl-1H-pyrazol-1-yl)acetic acid
CID 4737041
2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 19576750
2-[[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid
CID 154882047
Ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate
CID 169179943
Ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-oxopropyl)amino]acetate
CID 169179948
Ethyl 2-[3-methyl-5-[(2,2,2-trifluoroacetyl)amino]pyrazol-1-yl]acetate
CID 178084687

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate (CID 7176034) is ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate is CCOC(=O)Cn1nc(C)cc1N.
What is the InChIKey of ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate?
The InChIKey is GTQNYOZGFCLNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-13-8(12)5-11-7(9)4-6(2)10-11/h4H,3,5,9H2,1-2H3.
What are the key properties of ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate?
ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate has a molecular weight of 183.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate is sourced from PubChem (CID 7176034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).