5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid

C8H13N3O2 — CID 59035461

IUPAC5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid
SMILESCC(C)(C)Nc1[nH]ncc1C(=O)O
InChIInChI=1S/C8H13N3O2/c1-8(2,3)10-6-5(7(12)13)4-9-11-6/h4H,1-3H3,(H,12,13)(H2,9,10,11)
InChIKeyMSECOBSLSIJHJM-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.32
Rot. Bonds2

About 5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid

5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid (PubChem CID 59035461) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid
PubChem CID59035461
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid
SMILESCC(C)(C)Nc1[nH]ncc1C(=O)O
InChIInChI=1S/C8H13N3O2/c1-8(2,3)10-6-5(7(12)13)4-9-11-6/h4H,1-3H3,(H,12,13)(H2,9,10,11)
InChIKeyMSECOBSLSIJHJM-UHFFFAOYSA-N
XLogP1.32
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid (CID 59035461) is 5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid is CC(C)(C)Nc1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid?
The InChIKey is MSECOBSLSIJHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,3)10-6-5(7(12)13)4-9-11-6/h4H,1-3H3,(H,12,13)(H2,9,10,11).
What are the key properties of 5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid?
5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 59035461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).