5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide

C17H23N3O — CID 150288521

IUPAC5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCC(CC(C)(C)C)c1ccccc1-c1[nH]ncc1C(N)=O
InChIInChI=1S/C17H23N3O/c1-11(9-17(2,3)4)12-7-5-6-8-13(12)15-14(16(18)21)10-19-20-15/h5-8,10-11H,9H2,1-4H3,(H2,18,21)(H,19,20)
InChIKeyGHBYDWVSCHDKAH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.72
Rot. Bonds4

About 5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide

5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 150288521) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID150288521
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCC(CC(C)(C)C)c1ccccc1-c1[nH]ncc1C(N)=O
InChIInChI=1S/C17H23N3O/c1-11(9-17(2,3)4)12-7-5-6-8-13(12)15-14(16(18)21)10-19-20-15/h5-8,10-11H,9H2,1-4H3,(H2,18,21)(H,19,20)
InChIKeyGHBYDWVSCHDKAH-UHFFFAOYSA-N
XLogP3.72
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide (CID 150288521) is 5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide is CC(CC(C)(C)C)c1ccccc1-c1[nH]ncc1C(N)=O.
What is the InChIKey of 5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is GHBYDWVSCHDKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(9-17(2,3)4)12-7-5-6-8-13(12)15-14(16(18)21)10-19-20-15/h5-8,10-11H,9H2,1-4H3,(H2,18,21)(H,19,20).
What are the key properties of 5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide?
5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 150288521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).