3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide

C26H24F3N5O3 — CID 121365063

IUPAC3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cnccc1C(F)(F)F
InChIInChI=1S/C26H24F3N5O3/c1-37-17-23-21(25(36)31-13-20-12-30-10-9-22(20)26(27,28)29)16-34(32-23)15-19-7-5-18(6-8-19)14-33-11-3-2-4-24(33)35/h2-12,16H,13-15,17H2,1H3,(H,31,36)
InChIKeyZHJJZIGZXRDDHP-UHFFFAOYSA-N
MW511.50 g/mol
LogP3.63
Rot. Bonds9

About 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide

3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 121365063) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
PubChem CID121365063
Molecular FormulaC26H24F3N5O3
Molecular Weight511.50 g/mol
Exact Mass511.18
IUPAC Name3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cnccc1C(F)(F)F
InChIInChI=1S/C26H24F3N5O3/c1-37-17-23-21(25(36)31-13-20-12-30-10-9-22(20)26(27,28)29)16-34(32-23)15-19-7-5-18(6-8-19)14-33-11-3-2-4-24(33)35/h2-12,16H,13-15,17H2,1H3,(H,31,36)
InChIKeyZHJJZIGZXRDDHP-UHFFFAOYSA-N
XLogP3.63
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (CID 121365063) is 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cnccc1C(F)(F)F.
What is the InChIKey of 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The InChIKey is ZHJJZIGZXRDDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-37-17-23-21(25(36)31-13-20-12-30-10-9-22(20)26(27,28)29)16-34(32-23)15-19-7-5-18(6-8-19)14-33-11-3-2-4-24(33)35/h2-12,16H,13-15,17H2,1H3,(H,31,36).
What are the key properties of 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 511.50 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121365063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).