2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid

C8H10N4O2 — CID 63758168

IUPAC2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid
SMILESCc1nn(C)c(NCC(=O)O)c1C#N
InChIInChI=1S/C8H10N4O2/c1-5-6(3-9)8(12(2)11-5)10-4-7(13)14/h10H,4H2,1-2H3,(H,13,14)
InChIKeyTWDAMLRKSNZMEU-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.10
Rot. Bonds3

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

2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid (PubChem CID 63758168) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid
PubChem CID63758168
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid
SMILESCc1nn(C)c(NCC(=O)O)c1C#N
InChIInChI=1S/C8H10N4O2/c1-5-6(3-9)8(12(2)11-5)10-4-7(13)14/h10H,4H2,1-2H3,(H,13,14)
InChIKeyTWDAMLRKSNZMEU-UHFFFAOYSA-N
XLogP0.10
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoic acid
CID 63756960
4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]butanoic acid
CID 63756962
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405568
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
2-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475011
1-[2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498571
1,3-dimethyl-5-(2-methylsulfonylethylamino)pyrazole-4-carbonitrile
CID 63758017
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide
CID 106170857
4-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]benzoic acid
CID 63756783
2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid
CID 63756788
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
5-(4-hydroxybutylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 106842244

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid (CID 63758168) is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid is Cc1nn(C)c(NCC(=O)O)c1C#N.
What is the InChIKey of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid?
The InChIKey is TWDAMLRKSNZMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-5-6(3-9)8(12(2)11-5)10-4-7(13)14/h10H,4H2,1-2H3,(H,13,14).
What are the key properties of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid?
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 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)amino]acetic acid is sourced from PubChem (CID 63758168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).