N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H16F3N3O3 — CID 16579162

IUPACN-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1OC
InChIInChI=1S/C19H16F3N3O3/c1-27-15-9-8-12(10-16(15)28-2)24-18(26)14-11-23-25(17(14)19(20,21)22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,24,26)
InChIKeyMILARQKVGPNGBV-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.16
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 16579162) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID16579162
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC NameN-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1OC
InChIInChI=1S/C19H16F3N3O3/c1-27-15-9-8-12(10-16(15)28-2)24-18(26)14-11-23-25(17(14)19(20,21)22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,24,26)
InChIKeyMILARQKVGPNGBV-UHFFFAOYSA-N
XLogP4.16
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 16579162) is N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is MILARQKVGPNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-27-15-9-8-12(10-16(15)28-2)24-18(26)14-11-23-25(17(14)19(20,21)22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,24,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 16579162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).