methyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate

C9H15N3O2 — CID 5200218

IUPACmethyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate
SMILESCOC(=O)CCCn1nc(N)cc1C
InChIInChI=1S/C9H15N3O2/c1-7-6-8(10)11-12(7)5-3-4-9(13)14-2/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeySTHLLZYRFMFLTM-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.73
Rot. Bonds4

About methyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate

methyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate (PubChem CID 5200218) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is methyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate
PubChem CID5200218
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Namemethyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate
SMILESCOC(=O)CCCn1nc(N)cc1C
InChIInChI=1S/C9H15N3O2/c1-7-6-8(10)11-12(7)5-3-4-9(13)14-2/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeySTHLLZYRFMFLTM-UHFFFAOYSA-N
XLogP0.73
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.73
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
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
(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
1-butyl-5-methyl-1H-pyrazol-3-amine
CID 7176030
Ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate
CID 79872624
methyl 2-(5-amino-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate
CID 121214119
methyl (2S)-2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 129503970
methyl (2R)-2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 129503972
Ethyl 2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetate
CID 1511463

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate?
The IUPAC name of methyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate (CID 5200218) is methyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate.
What is the SMILES notation for methyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate?
The canonical SMILES for methyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate is COC(=O)CCCn1nc(N)cc1C.
What is the InChIKey of methyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate?
The InChIKey is STHLLZYRFMFLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-6-8(10)11-12(7)5-3-4-9(13)14-2/h6H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of methyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate?
methyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate has a molecular weight of 197.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-amino-5-methylpyrazol-1-yl)butanoate is sourced from PubChem (CID 5200218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).