2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid

C10H14N4O2 — CID 63758693

IUPAC2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid
SMILESCc1nn(C)c(N(C)C(C)C(=O)O)c1C#N
InChIInChI=1S/C10H14N4O2/c1-6-8(5-11)9(14(4)12-6)13(3)7(2)10(15)16/h7H,1-4H3,(H,15,16)
InChIKeyJQJZCEBDYPWGPN-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.51
Rot. Bonds3

About 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid

2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid (PubChem CID 63758693) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid
PubChem CID63758693
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid
SMILESCc1nn(C)c(N(C)C(C)C(=O)O)c1C#N
InChIInChI=1S/C10H14N4O2/c1-6-8(5-11)9(14(4)12-6)13(3)7(2)10(15)16/h7H,1-4H3,(H,15,16)
InChIKeyJQJZCEBDYPWGPN-UHFFFAOYSA-N
XLogP0.51
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid?
The IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid (CID 63758693) is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid is Cc1nn(C)c(N(C)C(C)C(=O)O)c1C#N.
What is the InChIKey of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid?
The InChIKey is JQJZCEBDYPWGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-8(5-11)9(14(4)12-6)13(3)7(2)10(15)16/h7H,1-4H3,(H,15,16).
What are the key properties of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid?
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid has a molecular weight of 222.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid is sourced from PubChem (CID 63758693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).