N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide

C13H12F3N3O — CID 43546989

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3N3O/c1-7-11(8(2)19-18-7)17-12(20)9-5-3-4-6-10(9)13(14,15)16/h3-6H,1-2H3,(H,17,20)(H,18,19)
InChIKeyKVSWZEAIEVJXNQ-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.30
Rot. Bonds2

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide (PubChem CID 43546989) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
PubChem CID43546989
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3N3O/c1-7-11(8(2)19-18-7)17-12(20)9-5-3-4-6-10(9)13(14,15)16/h3-6H,1-2H3,(H,17,20)(H,18,19)
InChIKeyKVSWZEAIEVJXNQ-UHFFFAOYSA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide (CID 43546989) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide is Cc1n[nH]c(C)c1NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is KVSWZEAIEVJXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-7-11(8(2)19-18-7)17-12(20)9-5-3-4-6-10(9)13(14,15)16/h3-6H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 283.25 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 43546989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).