5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid

C8H13N3O2 — CID 19619977

IUPAC5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCC(C)Cn1nc(C(=O)O)cc1N
InChIInChI=1S/C8H13N3O2/c1-5(2)4-11-7(9)3-6(10-11)8(12)13/h3,5H,4,9H2,1-2H3,(H,12,13)
InChIKeyWYXODHCLBBQXAZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.82
Rot. Bonds3

About 5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid

5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid (PubChem CID 19619977) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid
PubChem CID19619977
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCC(C)Cn1nc(C(=O)O)cc1N
InChIInChI=1S/C8H13N3O2/c1-5(2)4-11-7(9)3-6(10-11)8(12)13/h3,5H,4,9H2,1-2H3,(H,12,13)
InChIKeyWYXODHCLBBQXAZ-UHFFFAOYSA-N
XLogP0.82
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid (CID 19619977) is 5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid is CC(C)Cn1nc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid?
The InChIKey is WYXODHCLBBQXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(2)4-11-7(9)3-6(10-11)8(12)13/h3,5H,4,9H2,1-2H3,(H,12,13).
What are the key properties of 5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid?
5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methylpropyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 19619977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).