methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate

C9H15N3O2 — CID 103572127

IUPACmethyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
SMILESCCCn1cc(C(N)C(=O)OC)cn1
InChIInChI=1S/C9H15N3O2/c1-3-4-12-6-7(5-11-12)8(10)9(13)14-2/h5-6,8H,3-4,10H2,1-2H3
InChIKeyFRFUMRFXLJDDIW-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.47
Rot. Bonds4

About methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate

methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate (PubChem CID 103572127) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
PubChem CID103572127
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Namemethyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
SMILESCCCn1cc(C(N)C(=O)OC)cn1
InChIInChI=1S/C9H15N3O2/c1-3-4-12-6-7(5-11-12)8(10)9(13)14-2/h5-6,8H,3-4,10H2,1-2H3
InChIKeyFRFUMRFXLJDDIW-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate
CID 103573475
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
2-methoxy-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 79617281
3-(methylamino)-3-(1-propylpyrazol-4-yl)propanamide
CID 103573447
2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid
CID 103572196
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 103024939
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279
3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
CID 171898832
methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate
CID 106946499

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate?
The IUPAC name of methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate (CID 103572127) is methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate is CCCn1cc(C(N)C(=O)OC)cn1.
What is the InChIKey of methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate?
The InChIKey is FRFUMRFXLJDDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-12-6-7(5-11-12)8(10)9(13)14-2/h5-6,8H,3-4,10H2,1-2H3.
What are the key properties of methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate?
methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate has a molecular weight of 197.24 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate is sourced from PubChem (CID 103572127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).