methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate

C11H19N3O2 — CID 103573475

IUPACmethyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate
SMILESCCCn1cc(C(CN)CC(=O)OC)cn1
InChIInChI=1S/C11H19N3O2/c1-3-4-14-8-10(7-13-14)9(6-12)5-11(15)16-2/h7-9H,3-6,12H2,1-2H3
InChIKeyORWSHMMNJDWCLR-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.90
Rot. Bonds6

About methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate

methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate (PubChem CID 103573475) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate
PubChem CID103573475
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Namemethyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate
SMILESCCCn1cc(C(CN)CC(=O)OC)cn1
InChIInChI=1S/C11H19N3O2/c1-3-4-14-8-10(7-13-14)9(6-12)5-11(15)16-2/h7-9H,3-6,12H2,1-2H3
InChIKeyORWSHMMNJDWCLR-UHFFFAOYSA-N
XLogP0.90
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
CID 103572127
3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
CID 171898832
3-(methylamino)-3-(1-propylpyrazol-4-yl)propanamide
CID 103573447
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421
butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate
CID 103572850
methyl 4-amino-3-phenylbutanoate;hydrochloride
CID 68748102
methyl 4-amino-3-(furan-3-yl)butanoate
CID 66096201
methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate
CID 106946499
2-(aminomethyl)-N-methyl-3-(1-propylpyrazol-4-yl)propanamide
CID 103572343
2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid
CID 103572196
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate?
The IUPAC name of methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate (CID 103573475) is methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate.
What is the SMILES notation for methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate?
The canonical SMILES for methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate is CCCn1cc(C(CN)CC(=O)OC)cn1.
What is the InChIKey of methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate?
The InChIKey is ORWSHMMNJDWCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-4-14-8-10(7-13-14)9(6-12)5-11(15)16-2/h7-9H,3-6,12H2,1-2H3.
What are the key properties of methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate?
methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate has a molecular weight of 225.29 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate is sourced from PubChem (CID 103573475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).