2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid

C12H21N3O2 — CID 114557965

IUPAC2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccnn1CCC
InChIInChI=1S/C12H21N3O2/c1-3-7-14(10-12(16)17)9-11-5-6-13-15(11)8-4-2/h5-6H,3-4,7-10H2,1-2H3,(H,16,17)
InChIKeyXCCMHHBWDBQXDC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.59
Rot. Bonds8

About 2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid

2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid (PubChem CID 114557965) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid
PubChem CID114557965
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccnn1CCC
InChIInChI=1S/C12H21N3O2/c1-3-7-14(10-12(16)17)9-11-5-6-13-15(11)8-4-2/h5-6H,3-4,7-10H2,1-2H3,(H,16,17)
InChIKeyXCCMHHBWDBQXDC-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid (CID 114557965) is 2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid is CCCN(CC(=O)O)Cc1ccnn1CCC.
What is the InChIKey of 2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid?
The InChIKey is XCCMHHBWDBQXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-7-14(10-12(16)17)9-11-5-6-13-15(11)8-4-2/h5-6H,3-4,7-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid?
2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid has a molecular weight of 239.32 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 114557965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).