N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C19H23F2N3O — CID 131963721

IUPACN-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC1(c2c(F)cccc2F)CCC1
InChIInChI=1S/C19H23F2N3O/c1-12-14(13(2)24(3)23-12)10-17(25)22-11-19(8-5-9-19)18-15(20)6-4-7-16(18)21/h4,6-7H,5,8-11H2,1-3H3,(H,22,25)
InChIKeyNFULGKPWYBFKJO-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.10
Rot. Bonds5

About N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 131963721) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID131963721
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC NameN-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC1(c2c(F)cccc2F)CCC1
InChIInChI=1S/C19H23F2N3O/c1-12-14(13(2)24(3)23-12)10-17(25)22-11-19(8-5-9-19)18-15(20)6-4-7-16(18)21/h4,6-7H,5,8-11H2,1-3H3,(H,22,25)
InChIKeyNFULGKPWYBFKJO-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide with MolForge

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Related Compounds

2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81165071
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71985913
3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 110474855
4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
CID 56808466
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24663985
2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 99630725
N-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]ethyl]furan-2-carboxamide
CID 38231081
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
N-[1-(hydroxymethyl)cyclopentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 62519330
3-fluoro-N-[3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]phenyl]benzamide
CID 55893293
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 131963721) is N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCC1(c2c(F)cccc2F)CCC1.
What is the InChIKey of N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is NFULGKPWYBFKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-12-14(13(2)24(3)23-12)10-17(25)22-11-19(8-5-9-19)18-15(20)6-4-7-16(18)21/h4,6-7H,5,8-11H2,1-3H3,(H,22,25).
What are the key properties of N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 347.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 131963721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).