1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide

C23H23F3N4O2 — CID 58370441

IUPAC1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
SMILESCc1cc(C(F)(F)F)nn1Cc1ccc(NC(=O)c2ccccc2C(=O)NC(C)C)cc1
InChIInChI=1S/C23H23F3N4O2/c1-14(2)27-21(31)18-6-4-5-7-19(18)22(32)28-17-10-8-16(9-11-17)13-30-15(3)12-20(29-30)23(24,25)26/h4-12,14H,13H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyGIPAQCWQQMWHLN-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.65
Rot. Bonds6

About 1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide

1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide (PubChem CID 58370441) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is 1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
PubChem CID58370441
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
SMILESCc1cc(C(F)(F)F)nn1Cc1ccc(NC(=O)c2ccccc2C(=O)NC(C)C)cc1
InChIInChI=1S/C23H23F3N4O2/c1-14(2)27-21(31)18-6-4-5-7-19(18)22(32)28-17-10-8-16(9-11-17)13-30-15(3)12-20(29-30)23(24,25)26/h4-12,14H,13H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyGIPAQCWQQMWHLN-UHFFFAOYSA-N
XLogP4.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 58124325
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CID 129226884
N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
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Ab-chfupyca
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N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
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1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 24962989
CID 155557232
CID 155557232
3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide
CID 9205925
3-tert-butyl-N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-1-oxo-3-phenylpropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 145964832
N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
CID 985877
1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propyl-1H-pyrazole-5-carboxamide
CID 985879

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide (CID 58370441) is 1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide is Cc1cc(C(F)(F)F)nn1Cc1ccc(NC(=O)c2ccccc2C(=O)NC(C)C)cc1.
What is the InChIKey of 1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide?
The InChIKey is GIPAQCWQQMWHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-14(2)27-21(31)18-6-4-5-7-19(18)22(32)28-17-10-8-16(9-11-17)13-30-15(3)12-20(29-30)23(24,25)26/h4-12,14H,13H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide?
1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide has a molecular weight of 444.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 58370441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).