methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate

C12H21N3O2 — CID 114557561

IUPACmethyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate
SMILESCCCn1nccc1CC(N)CCC(=O)OC
InChIInChI=1S/C12H21N3O2/c1-3-8-15-11(6-7-14-15)9-10(13)4-5-12(16)17-2/h6-7,10H,3-5,8-9,13H2,1-2H3
InChIKeyXSXAIYQWHHJMAM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.12
Rot. Bonds7

About methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate

methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate (PubChem CID 114557561) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate
PubChem CID114557561
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Namemethyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate
SMILESCCCn1nccc1CC(N)CCC(=O)OC
InChIInChI=1S/C12H21N3O2/c1-3-8-15-11(6-7-14-15)9-10(13)4-5-12(16)17-2/h6-7,10H,3-5,8-9,13H2,1-2H3
InChIKeyXSXAIYQWHHJMAM-UHFFFAOYSA-N
XLogP1.12
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate?
The IUPAC name of methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate (CID 114557561) is methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate.
What is the SMILES notation for methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate?
The canonical SMILES for methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate is CCCn1nccc1CC(N)CCC(=O)OC.
What is the InChIKey of methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate?
The InChIKey is XSXAIYQWHHJMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-8-15-11(6-7-14-15)9-10(13)4-5-12(16)17-2/h6-7,10H,3-5,8-9,13H2,1-2H3.
What are the key properties of methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate?
methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate has a molecular weight of 239.32 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate is sourced from PubChem (CID 114557561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).