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

C24H25F2N5O4 — CID 129248234

IUPAC5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOCC3)c(N)c2C(N)=O)c(F)c1F
InChIInChI=1S/C24H25F2N5O4/c1-34-17-5-3-2-4-15(17)24(33)29-12-13-6-7-16(20(26)19(13)25)21-18(23(28)32)22(27)31(30-21)14-8-10-35-11-9-14/h2-7,14H,8-12,27H2,1H3,(H2,28,32)(H,29,33)
InChIKeyDGZSAHQSKBKWSU-UHFFFAOYSA-N
MW485.49 g/mol
LogP2.80
Rot. Bonds7

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

5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide (PubChem CID 129248234) has the molecular formula C24H25F2N5O4 and a molecular weight of 485.49 g/mol. Its IUPAC name is 5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
PubChem CID129248234
Molecular FormulaC24H25F2N5O4
Molecular Weight485.49 g/mol
Exact Mass485.19
IUPAC Name5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOCC3)c(N)c2C(N)=O)c(F)c1F
InChIInChI=1S/C24H25F2N5O4/c1-34-17-5-3-2-4-15(17)24(33)29-12-13-6-7-16(20(26)19(13)25)21-18(23(28)32)22(27)31(30-21)14-8-10-35-11-9-14/h2-7,14H,8-12,27H2,1H3,(H2,28,32)(H,29,33)
InChIKeyDGZSAHQSKBKWSU-UHFFFAOYSA-N
XLogP2.80
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-3-[3-fluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 129248228
N-[[4-(5-amino-4-cyano-1-cyclopentylpyrazol-3-yl)-2,3-difluorophenyl]methyl]-2-methoxybenzamide
CID 137358623
N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide
CID 155106397
5-amino-1-cyclopentyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 129248030
5-amino-3-[2-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 157183576
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;ethane;toluene
CID 145332683
5-amino-1-cyclobutyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248209
N-[[4-[5-amino-4-cyano-1-(oxan-4-yl)pyrazol-3-yl]-3-fluorophenyl]methyl]-2-methoxybenzamide
CID 137358739
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
5-amino-1-(6-azabicyclo[3.1.1]heptan-3-yl)-3-[7-[[(2-methoxybenzoyl)amino]methyl]-1H-indol-4-yl]pyrazole-4-carboxamide
CID 177155491
5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163600712
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;formaldehyde
CID 145332772

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide (CID 129248234) is 5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide is COc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOCC3)c(N)c2C(N)=O)c(F)c1F.
What is the InChIKey of 5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide?
The InChIKey is DGZSAHQSKBKWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O4/c1-34-17-5-3-2-4-15(17)24(33)29-12-13-6-7-16(20(26)19(13)25)21-18(23(28)32)22(27)31(30-21)14-8-10-35-11-9-14/h2-7,14H,8-12,27H2,1H3,(H2,28,32)(H,29,33).
What are the key properties of 5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide?
5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide has a molecular weight of 485.49 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 129248234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).