3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide

C15H27N3O3 — CID 75484222

IUPAC3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(CC(C)(CO)CO)C(=O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C15H27N3O3/c1-14(2,3)12-11(7-18(6)16-12)13(21)17(5)8-15(4,9-19)10-20/h7,19-20H,8-10H2,1-6H3
InChIKeyFXWWHSNCULQUQR-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.78
Rot. Bonds5

About 3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide

3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 75484222) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID75484222
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(CC(C)(CO)CO)C(=O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C15H27N3O3/c1-14(2,3)12-11(7-18(6)16-12)13(21)17(5)8-15(4,9-19)10-20/h7,19-20H,8-10H2,1-6H3
InChIKeyFXWWHSNCULQUQR-UHFFFAOYSA-N
XLogP0.78
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-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 3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide (CID 75484222) is 3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide is CN(CC(C)(CO)CO)C(=O)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is FXWWHSNCULQUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-14(2,3)12-11(7-18(6)16-12)13(21)17(5)8-15(4,9-19)10-20/h7,19-20H,8-10H2,1-6H3.
What are the key properties of 3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide?
3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 75484222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).