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

C19H26F3N3O — CID 69192431

IUPACN-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide
SMILESCC(CC(C)(C)C)c1ccccc1NC(=O)C1(C(F)(F)F)C=CN(C)N1
InChIInChI=1S/C19H26F3N3O/c1-13(12-17(2,3)4)14-8-6-7-9-15(14)23-16(26)18(19(20,21)22)10-11-25(5)24-18/h6-11,13,24H,12H2,1-5H3,(H,23,26)
InChIKeyQPSDEMLORDZLFG-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.43
Rot. Bonds4

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

N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide (PubChem CID 69192431) has the molecular formula C19H26F3N3O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide
PubChem CID69192431
Molecular FormulaC19H26F3N3O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC NameN-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide
SMILESCC(CC(C)(C)C)c1ccccc1NC(=O)C1(C(F)(F)F)C=CN(C)N1
InChIInChI=1S/C19H26F3N3O/c1-13(12-17(2,3)4)14-8-6-7-9-15(14)23-16(26)18(19(20,21)22)10-11-25(5)24-18/h6-11,13,24H,12H2,1-5H3,(H,23,26)
InChIKeyQPSDEMLORDZLFG-UHFFFAOYSA-N
XLogP4.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide (CID 69192431) is N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide is CC(CC(C)(C)C)c1ccccc1NC(=O)C1(C(F)(F)F)C=CN(C)N1.
What is the InChIKey of N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QPSDEMLORDZLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O/c1-13(12-17(2,3)4)14-8-6-7-9-15(14)23-16(26)18(19(20,21)22)10-11-25(5)24-18/h6-11,13,24H,12H2,1-5H3,(H,23,26).
What are the key properties of N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylpentan-2-yl)phenyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69192431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).