N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

C18H25FN4O — CID 134705374

IUPACN-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCCC(C)n1nc(C)cc1NC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H25FN4O/c1-5-14(3)23-17(10-13(2)21-23)20-18(24)12-22(4)11-15-6-8-16(19)9-7-15/h6-10,14H,5,11-12H2,1-4H3,(H,20,24)
InChIKeyVSXGJJUYBOBPBU-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.37
Rot. Bonds7

About N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 134705374) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
PubChem CID134705374
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC NameN-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCCC(C)n1nc(C)cc1NC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H25FN4O/c1-5-14(3)23-17(10-13(2)21-23)20-18(24)12-22(4)11-15-6-8-16(19)9-7-15/h6-10,14H,5,11-12H2,1-4H3,(H,20,24)
InChIKeyVSXGJJUYBOBPBU-UHFFFAOYSA-N
XLogP3.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 36799477
4-[[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 55445494
N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2451655
N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9252027
2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 8695024
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251801
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251798
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 24664958
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[(4-fluorophenyl)methyl-methylamino]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 118783624

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (CID 134705374) is N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is CCC(C)n1nc(C)cc1NC(=O)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is VSXGJJUYBOBPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-5-14(3)23-17(10-13(2)21-23)20-18(24)12-22(4)11-15-6-8-16(19)9-7-15/h6-10,14H,5,11-12H2,1-4H3,(H,20,24).
What are the key properties of N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 332.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 134705374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).