5-(tert-butylamino)-1H-pyrazole-4-carboxamide

C8H14N4O — CID 166011957

IUPAC5-(tert-butylamino)-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)Nc1[nH]ncc1C(N)=O
InChIInChI=1S/C8H14N4O/c1-8(2,3)11-7-5(6(9)13)4-10-12-7/h4H,1-3H3,(H2,9,13)(H2,10,11,12)
InChIKeyBDSDXDNGYTWREG-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.72
Rot. Bonds2

About 5-(tert-butylamino)-1H-pyrazole-4-carboxamide

5-(tert-butylamino)-1H-pyrazole-4-carboxamide (PubChem CID 166011957) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-(tert-butylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-1H-pyrazole-4-carboxamide
PubChem CID166011957
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-(tert-butylamino)-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)Nc1[nH]ncc1C(N)=O
InChIInChI=1S/C8H14N4O/c1-8(2,3)11-7-5(6(9)13)4-10-12-7/h4H,1-3H3,(H2,9,13)(H2,10,11,12)
InChIKeyBDSDXDNGYTWREG-UHFFFAOYSA-N
XLogP0.72
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(tert-butylamino)-1H-pyrazole-4-carboxamide 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-carboxamide?
The IUPAC name of 5-(tert-butylamino)-1H-pyrazole-4-carboxamide (CID 166011957) is 5-(tert-butylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-1H-pyrazole-4-carboxamide is CC(C)(C)Nc1[nH]ncc1C(N)=O.
What is the InChIKey of 5-(tert-butylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is BDSDXDNGYTWREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,3)11-7-5(6(9)13)4-10-12-7/h4H,1-3H3,(H2,9,13)(H2,10,11,12).
What are the key properties of 5-(tert-butylamino)-1H-pyrazole-4-carboxamide?
5-(tert-butylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.72, 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-carboxamide is sourced from PubChem (CID 166011957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).