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

C24H25F3N4O2 — CID 58370535

IUPAC1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
SMILESCc1cc(Cn2nc(C(F)(F)F)cc2C)ccc1NC(=O)c1ccccc1C(=O)NC(C)C
InChIInChI=1S/C24H25F3N4O2/c1-14(2)28-22(32)18-7-5-6-8-19(18)23(33)29-20-10-9-17(11-15(20)3)13-31-16(4)12-21(30-31)24(25,26)27/h5-12,14H,13H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyMQMKWLXRQDDJDP-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.96
Rot. Bonds6

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

1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide (PubChem CID 58370535) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is 1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
PubChem CID58370535
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC Name1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
SMILESCc1cc(Cn2nc(C(F)(F)F)cc2C)ccc1NC(=O)c1ccccc1C(=O)NC(C)C
InChIInChI=1S/C24H25F3N4O2/c1-14(2)28-22(32)18-7-5-6-8-19(18)23(33)29-20-10-9-17(11-15(20)3)13-31-16(4)12-21(30-31)24(25,26)27/h5-12,14H,13H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyMQMKWLXRQDDJDP-UHFFFAOYSA-N
XLogP4.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(3S)-1-(cyclobutylamino)-5-[methyl(2-methylpropyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 129226884
Ab-chfupyca
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N-[3,5-dimethyl-1-(3-methylbenzyl)-1H-pyrazol-4-yl]-4-fluorobenzamide
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1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-N-(naphthalen-1-ylmethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide?
The IUPAC name of 1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide (CID 58370535) is 1-N-[2-methyl-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-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide is Cc1cc(Cn2nc(C(F)(F)F)cc2C)ccc1NC(=O)c1ccccc1C(=O)NC(C)C.
What is the InChIKey of 1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide?
The InChIKey is MQMKWLXRQDDJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-14(2)28-22(32)18-7-5-6-8-19(18)23(33)29-20-10-9-17(11-15(20)3)13-31-16(4)12-21(30-31)24(25,26)27/h5-12,14H,13H2,1-4H3,(H,28,32)(H,29,33).
What are the key properties of 1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide?
1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide has a molecular weight of 458.48 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-methyl-4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 58370535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).