methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate

C9H15N3O2 — CID 63948693

IUPACmethyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate
SMILESCOC(=O)CCn1nc(C)c(N)c1C
InChIInChI=1S/C9H15N3O2/c1-6-9(10)7(2)12(11-6)5-4-8(13)14-3/h4-5,10H2,1-3H3
InChIKeyZRFMJKRWTMGMTM-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.65
Rot. Bonds3

About methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate

methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate (PubChem CID 63948693) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate
PubChem CID63948693
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Namemethyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate
SMILESCOC(=O)CCn1nc(C)c(N)c1C
InChIInChI=1S/C9H15N3O2/c1-6-9(10)7(2)12(11-6)5-4-8(13)14-3/h4-5,10H2,1-3H3
InChIKeyZRFMJKRWTMGMTM-UHFFFAOYSA-N
XLogP0.65
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3,5-dimethyl-1H-pyrazol-4-amine
CID 1125228
(4-Amino-3,5-dimethyl-pyrazol-1-yl)-acetic acid
CID 3159650
3,5-Dimethyl-1-(1-methylethyl)-1H-pyrazol-4-amine
CID 3031275
1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 28412447
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide
CID 39891339
Methyl 2-(4-amino-3,5-dimethyl-1H-pyrazol-1-YL)acetate
CID 28412419
(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid dihydrochloride hydrate
CID 47000688
2-(4-amino-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid dihydrochloride
CID 54594849
Methyl 3-(3,5-Dimethyl-1H-pyrazol-1-yl)propanoate
CID 23006105
3-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
CID 25247186
ethyl 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoate
CID 842802
ethyl (4-amino-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1507039

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate?
The IUPAC name of methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate (CID 63948693) is methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate is COC(=O)CCn1nc(C)c(N)c1C.
What is the InChIKey of methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate?
The InChIKey is ZRFMJKRWTMGMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-9(10)7(2)12(11-6)5-4-8(13)14-3/h4-5,10H2,1-3H3.
What are the key properties of methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate?
methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate has a molecular weight of 197.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-amino-3,5-dimethylpyrazol-1-yl)propanoate is sourced from PubChem (CID 63948693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).