N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide

C17H21FN4O2 — CID 100711666

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n(C)n1
InChIInChI=1S/C17H21FN4O2/c1-11-6-16(21(2)20-11)19-17(24)10-22-9-14(23)8-15(22)12-4-3-5-13(18)7-12/h3-7,14-15,23H,8-10H2,1-2H3,(H,19,24)/t14-,15+/m0/s1
InChIKeyYYDNBFLOUSJJMV-LSDHHAIUSA-N
MW332.38 g/mol
LogP1.61
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 100711666) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
PubChem CID100711666
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n(C)n1
InChIInChI=1S/C17H21FN4O2/c1-11-6-16(21(2)20-11)19-17(24)10-22-9-14(23)8-15(22)12-4-3-5-13(18)7-12/h3-7,14-15,23H,8-10H2,1-2H3,(H,19,24)/t14-,15+/m0/s1
InChIKeyYYDNBFLOUSJJMV-LSDHHAIUSA-N
XLogP1.61
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 100711660
N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 129349963
2-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 129480806
N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 129447287
(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480762
(3S,5S)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480760
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120757022
(3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol
CID 129480887
N-ethyl-2-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide
CID 129425322
[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129482041
1-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 100719657
5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 128975908

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide (CID 100711666) is N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide is Cc1cc(NC(=O)CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is YYDNBFLOUSJJMV-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11-6-16(21(2)20-11)19-17(24)10-22-9-14(23)8-15(22)12-4-3-5-13(18)7-12/h3-7,14-15,23H,8-10H2,1-2H3,(H,19,24)/t14-,15+/m0/s1.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 332.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 100711666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).