N-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C22H18F3N5O — CID 118392877

IUPACN-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cn(C)nc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C22H18F3N5O/c1-29-11-10-18(27-29)16-12-15(8-9-17(16)22(23,24)25)21(31)26-19-13-30(2)28-20(19)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,26,31)
InChIKeyKTIVURZYPZPKPX-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.76
Rot. Bonds4

About N-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118392877) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is N-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118392877
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC NameN-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cn(C)nc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C22H18F3N5O/c1-29-11-10-18(27-29)16-12-15(8-9-17(16)22(23,24)25)21(31)26-19-13-30(2)28-20(19)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,26,31)
InChIKeyKTIVURZYPZPKPX-UHFFFAOYSA-N
XLogP4.76
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118392877) is N-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cn(C)nc3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of N-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is KTIVURZYPZPKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c1-29-11-10-18(27-29)16-12-15(8-9-17(16)22(23,24)25)21(31)26-19-13-30(2)28-20(19)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,26,31).
What are the key properties of N-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 425.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).