5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide

C18H19F3N6O — CID 45230639

IUPAC5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NC(c2cccnc2)C(F)(F)F)n[nH]1
InChIInChI=1S/C18H19F3N6O/c1-11(2)16-23-6-7-27(16)10-13-8-14(26-25-13)17(28)24-15(18(19,20)21)12-4-3-5-22-9-12/h3-9,11,15H,10H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyLSERZSXIJHLEPW-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.21
Rot. Bonds6

About 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide

5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 45230639) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID45230639
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NC(c2cccnc2)C(F)(F)F)n[nH]1
InChIInChI=1S/C18H19F3N6O/c1-11(2)16-23-6-7-27(16)10-13-8-14(26-25-13)17(28)24-15(18(19,20)21)12-4-3-5-22-9-12/h3-9,11,15H,10H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyLSERZSXIJHLEPW-UHFFFAOYSA-N
XLogP3.21
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide (CID 45230639) is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide is CC(C)c1nccn1Cc1cc(C(=O)NC(c2cccnc2)C(F)(F)F)n[nH]1.
What is the InChIKey of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is LSERZSXIJHLEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-11(2)16-23-6-7-27(16)10-13-8-14(26-25-13)17(28)24-15(18(19,20)21)12-4-3-5-22-9-12/h3-9,11,15H,10H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide?
5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 45230639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).