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

C7H11N3O2 — CID 50999529

IUPACmethyl 2-(3-amino-5-methylpyrazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(N)cc1C
InChIInChI=1S/C7H11N3O2/c1-5-3-6(8)9-10(5)4-7(11)12-2/h3H,4H2,1-2H3,(H2,8,9)
InChIKeyQSFRSJHKYUBTGS-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.05
Rot. Bonds2

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

methyl 2-(3-amino-5-methylpyrazol-1-yl)acetate (PubChem CID 50999529) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 2-(3-amino-5-methylpyrazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-5-methylpyrazol-1-yl)acetate
PubChem CID50999529
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Namemethyl 2-(3-amino-5-methylpyrazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(N)cc1C
InChIInChI=1S/C7H11N3O2/c1-5-3-6(8)9-10(5)4-7(11)12-2/h3H,4H2,1-2H3,(H2,8,9)
InChIKeyQSFRSJHKYUBTGS-UHFFFAOYSA-N
XLogP-0.05
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-amino-3-methyl-1H-pyrazole-1-acetate
CID 7176034
2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 47000728
2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 75481546
(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
1,5-Dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 68912972
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
1-(1-Methoxybutan-2-yl)-5-(trifluoromethyl)pyrazol-3-amine
CID 170788366
Ethyl 2-[3-methyl-5-[(2,2,2-trifluoroacetyl)amino]pyrazol-1-yl]acetate
CID 178084687
ethyl (5-methyl-3-nitro-1H-pyrazol-1-yl)acetate
CID 771926
Methyl 4-(3-amino-5-methylpyrazolyl)butanoate
CID 5200218

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-5-methylpyrazol-1-yl)acetate?
The IUPAC name of methyl 2-(3-amino-5-methylpyrazol-1-yl)acetate (CID 50999529) is methyl 2-(3-amino-5-methylpyrazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-amino-5-methylpyrazol-1-yl)acetate?
The canonical SMILES for methyl 2-(3-amino-5-methylpyrazol-1-yl)acetate is COC(=O)Cn1nc(N)cc1C.
What is the InChIKey of methyl 2-(3-amino-5-methylpyrazol-1-yl)acetate?
The InChIKey is QSFRSJHKYUBTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-3-6(8)9-10(5)4-7(11)12-2/h3H,4H2,1-2H3,(H2,8,9).
What are the key properties of methyl 2-(3-amino-5-methylpyrazol-1-yl)acetate?
methyl 2-(3-amino-5-methylpyrazol-1-yl)acetate has a molecular weight of 169.18 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-5-methylpyrazol-1-yl)acetate is sourced from PubChem (CID 50999529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).