N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

C22H19F6N5O2 — CID 22250330

IUPACN-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
SMILESCc1cccc(C(=O)NC(C)C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C22H19F6N5O2/c1-11(2)30-19(34)13-7-4-6-12(3)17(13)31-20(35)15-10-16(22(26,27)28)32-33(15)18-14(21(23,24)25)8-5-9-29-18/h4-11H,1-3H3,(H,30,34)(H,31,35)
InChIKeyBLGUMFYVALVTBP-UHFFFAOYSA-N
MW499.42 g/mol
LogP5.00
Rot. Bonds5

About N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (PubChem CID 22250330) has the molecular formula C22H19F6N5O2 and a molecular weight of 499.42 g/mol. Its IUPAC name is N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
PubChem CID22250330
Molecular FormulaC22H19F6N5O2
Molecular Weight499.42 g/mol
Exact Mass499.14
IUPAC NameN-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
SMILESCc1cccc(C(=O)NC(C)C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C22H19F6N5O2/c1-11(2)30-19(34)13-7-4-6-12(3)17(13)31-20(35)15-10-16(22(26,27)28)32-33(15)18-14(21(23,24)25)8-5-9-29-18/h4-11H,1-3H3,(H,30,34)(H,31,35)
InChIKeyBLGUMFYVALVTBP-UHFFFAOYSA-N
XLogP5.00
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.42
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The IUPAC name of N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (CID 22250330) is N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is Cc1cccc(C(=O)NC(C)C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1C(F)(F)F.
What is the InChIKey of N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The InChIKey is BLGUMFYVALVTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F6N5O2/c1-11(2)30-19(34)13-7-4-6-12(3)17(13)31-20(35)15-10-16(22(26,27)28)32-33(15)18-14(21(23,24)25)8-5-9-29-18/h4-11H,1-3H3,(H,30,34)(H,31,35).
What are the key properties of N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 499.42 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 22250330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).