5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide

C23H23F2N5O4 — CID 129248146

IUPAC5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCc1cc(F)c(-c2nn(C3CCOC3)c(N)c2C(N)=O)cc1F
InChIInChI=1S/C23H23F2N5O4/c1-33-18-5-3-2-4-14(18)23(32)28-10-12-8-17(25)15(9-16(12)24)20-19(22(27)31)21(26)30(29-20)13-6-7-34-11-13/h2-5,8-9,13H,6-7,10-11,26H2,1H3,(H2,27,31)(H,28,32)
InChIKeySYFGIUKQFRJYKJ-UHFFFAOYSA-N
MW471.46 g/mol
LogP2.41
Rot. Bonds7

About 5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide

5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 129248146) has the molecular formula C23H23F2N5O4 and a molecular weight of 471.46 g/mol. Its IUPAC name is 5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID129248146
Molecular FormulaC23H23F2N5O4
Molecular Weight471.46 g/mol
Exact Mass471.17
IUPAC Name5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCc1cc(F)c(-c2nn(C3CCOC3)c(N)c2C(N)=O)cc1F
InChIInChI=1S/C23H23F2N5O4/c1-33-18-5-3-2-4-14(18)23(32)28-10-12-8-17(25)15(9-16(12)24)20-19(22(27)31)21(26)30(29-20)13-6-7-34-11-13/h2-5,8-9,13H,6-7,10-11,26H2,1H3,(H2,27,31)(H,28,32)
InChIKeySYFGIUKQFRJYKJ-UHFFFAOYSA-N
XLogP2.41
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide (CID 129248146) is 5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide is COc1ccccc1C(=O)NCc1cc(F)c(-c2nn(C3CCOC3)c(N)c2C(N)=O)cc1F.
What is the InChIKey of 5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is SYFGIUKQFRJYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O4/c1-33-18-5-3-2-4-14(18)23(32)28-10-12-8-17(25)15(9-16(12)24)20-19(22(27)31)21(26)30(29-20)13-6-7-34-11-13/h2-5,8-9,13H,6-7,10-11,26H2,1H3,(H2,27,31)(H,28,32).
What are the key properties of 5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide?
5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 471.46 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2,5-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 129248146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).