N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide

C18H17F2N5O2 — CID 97123914

IUPACN-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCc1c([C@H](C)NC(=O)Cn2cccnc2=O)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C18H17F2N5O2/c1-11(23-17(26)10-24-7-3-6-21-18(24)27)14-9-22-25(12(14)2)16-5-4-13(19)8-15(16)20/h3-9,11H,10H2,1-2H3,(H,23,26)/t11-/m0/s1
InChIKeyCZHDGVLKQJSAJZ-NSHDSACASA-N
MW373.36 g/mol
LogP1.89
Rot. Bonds5

About N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 97123914) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID97123914
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC NameN-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCc1c([C@H](C)NC(=O)Cn2cccnc2=O)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C18H17F2N5O2/c1-11(23-17(26)10-24-7-3-6-21-18(24)27)14-9-22-25(12(14)2)16-5-4-13(19)8-15(16)20/h3-9,11H,10H2,1-2H3,(H,23,26)/t11-/m0/s1
InChIKeyCZHDGVLKQJSAJZ-NSHDSACASA-N
XLogP1.89
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 97130620
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 72858375
2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97149895
1-[3-[[[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]phenyl]ethanone
CID 25365387
2-[[[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-6-ethoxyphenol
CID 25282901
N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine
CID 25450844
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 33142762
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 42211395
2-(2-chloro-4-fluorophenyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 42525671
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclohexanamine
CID 45208565
4-[[[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-2,6-dimethylphenol
CID 25477171
2-(benzimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97140542

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 97123914) is N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide is Cc1c([C@H](C)NC(=O)Cn2cccnc2=O)cnn1-c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is CZHDGVLKQJSAJZ-NSHDSACASA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-11(23-17(26)10-24-7-3-6-21-18(24)27)14-9-22-25(12(14)2)16-5-4-13(19)8-15(16)20/h3-9,11H,10H2,1-2H3,(H,23,26)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 373.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 97123914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).