N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C14H15F2N3O — CID 23654751

IUPACN-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKFMFLJUNVNJDOD-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.16
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 23654751) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID23654751
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKFMFLJUNVNJDOD-UHFFFAOYSA-N
XLogP2.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-4-(2,5-difluorophenyl)-1-{3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
CID 23645917
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645918
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645925
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654661
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654663
N-[(2,4-Dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-acetamide
CID 23654666
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654747
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 23654752
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654831
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 23654832
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654834
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 44250460

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 23654751) is N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is KFMFLJUNVNJDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 279.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 23654751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).