N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide

C19H16F3N3O — CID 43074055

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H16F3N3O/c1-12-11-13(2)25(24-12)17-6-4-3-5-16(17)23-18(26)14-7-9-15(10-8-14)19(20,21)22/h3-11H,1-2H3,(H,23,26)
InChIKeyVXMRVRKDOSFHJZ-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.76
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 43074055) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID43074055
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H16F3N3O/c1-12-11-13(2)25(24-12)17-6-4-3-5-16(17)23-18(26)14-7-9-15(10-8-14)19(20,21)22/h3-11H,1-2H3,(H,23,26)
InChIKeyVXMRVRKDOSFHJZ-UHFFFAOYSA-N
XLogP4.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43073960
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 37093234
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829643
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 43073972
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
[[3-bromo-5-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]-1-benzothiophen-2-yl]-difluoromethyl]phosphonic acid
CID 175683141
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 55635677
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025
1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 167870149
4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide
CID 55794847
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 38760567

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 43074055) is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide is Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is VXMRVRKDOSFHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-12-11-13(2)25(24-12)17-6-4-3-5-16(17)23-18(26)14-7-9-15(10-8-14)19(20,21)22/h3-11H,1-2H3,(H,23,26).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 359.35 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 43074055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).