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

C12H18N4O2 — CID 55241714

IUPAC2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2-methylpropyl)amino]acetic acid
SMILESCc1nn(C)c(N(CC(=O)O)CC(C)C)c1C#N
InChIInChI=1S/C12H18N4O2/c1-8(2)6-16(7-11(17)18)12-10(5-13)9(3)14-15(12)4/h8H,6-7H2,1-4H3,(H,17,18)
InChIKeyHNAOAKMIKVUQDG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.15
Rot. Bonds5

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

2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2-methylpropyl)amino]acetic acid (PubChem CID 55241714) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2-methylpropyl)amino]acetic acid
PubChem CID55241714
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2-methylpropyl)amino]acetic acid
SMILESCc1nn(C)c(N(CC(=O)O)CC(C)C)c1C#N
InChIInChI=1S/C12H18N4O2/c1-8(2)6-16(7-11(17)18)12-10(5-13)9(3)14-15(12)4/h8H,6-7H2,1-4H3,(H,17,18)
InChIKeyHNAOAKMIKVUQDG-UHFFFAOYSA-N
XLogP1.15
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.15
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)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2-methylpropyl)amino]acetic acid (CID 55241714) is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2-methylpropyl)amino]acetic acid is Cc1nn(C)c(N(CC(=O)O)CC(C)C)c1C#N.
What is the InChIKey of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is HNAOAKMIKVUQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(2)6-16(7-11(17)18)12-10(5-13)9(3)14-15(12)4/h8H,6-7H2,1-4H3,(H,17,18).
What are the key properties of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2-methylpropyl)amino]acetic acid?
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.15, 5 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)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 55241714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).