2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C22H17F4N5O — CID 118392870

IUPAC2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cn(C)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C22H17F4N5O/c1-30-9-8-18(28-30)14-10-15(17(23)11-16(14)22(24,25)26)21(32)27-19-12-31(2)29-20(19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,27,32)
InChIKeyWLRKTFXVPQZEDP-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.90
Rot. Bonds4

About 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118392870) has the molecular formula C22H17F4N5O and a molecular weight of 443.40 g/mol. Its IUPAC name is 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118392870
Molecular FormulaC22H17F4N5O
Molecular Weight443.40 g/mol
Exact Mass443.14
IUPAC Name2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cn(C)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C22H17F4N5O/c1-30-9-8-18(28-30)14-10-15(17(23)11-16(14)22(24,25)26)21(32)27-19-12-31(2)29-20(19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,27,32)
InChIKeyWLRKTFXVPQZEDP-UHFFFAOYSA-N
XLogP4.90
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-5-phenylphenyl)-4-({[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}methyl)benzamide
CID 25158261
N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389971
4-[[4-fluoro-3-(2-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 76684090
N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide
CID 150533442
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 3299137
CID 155557232
CID 155557232
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
N-[4-methyl-3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 137654090
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 844520
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 1001179
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-1H-pyrazole-3-carboxamide
CID 4577554
1-phenyl-N-[2-[(4-pyrazol-1-ylbenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 46885187

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118392870) is 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cn(C)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is WLRKTFXVPQZEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O/c1-30-9-8-18(28-30)14-10-15(17(23)11-16(14)22(24,25)26)21(32)27-19-12-31(2)29-20(19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,27,32).
What are the key properties of 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 443.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).