N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

C18H24N4O3 — CID 129349963

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc([C@@H]2C[C@@H](O)CN2CC(=O)Nc2cc(C)nn2C)c1
InChIInChI=1S/C18H24N4O3/c1-12-7-17(21(2)20-12)19-18(24)11-22-10-14(23)9-16(22)13-5-4-6-15(8-13)25-3/h4-8,14,16,23H,9-11H2,1-3H3,(H,19,24)/t14-,16+/m1/s1
InChIKeyCFXVJUSJQAIXSJ-ZBFHGGJFSA-N
MW344.42 g/mol
LogP1.48
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 129349963) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID129349963
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc([C@@H]2C[C@@H](O)CN2CC(=O)Nc2cc(C)nn2C)c1
InChIInChI=1S/C18H24N4O3/c1-12-7-17(21(2)20-12)19-18(24)11-22-10-14(23)9-16(22)13-5-4-6-15(8-13)25-3/h4-8,14,16,23H,9-11H2,1-3H3,(H,19,24)/t14-,16+/m1/s1
InChIKeyCFXVJUSJQAIXSJ-ZBFHGGJFSA-N
XLogP1.48
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 100711666
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 129480939
N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 129481337
3-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 100736736
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100736548
1-(azetidin-1-yl)-2-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 128965750
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 100736817
(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481177
N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 129480913
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356
(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 100736446

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (CID 129349963) is N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is COc1cccc([C@@H]2C[C@@H](O)CN2CC(=O)Nc2cc(C)nn2C)c1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is CFXVJUSJQAIXSJ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-7-17(21(2)20-12)19-18(24)11-22-10-14(23)9-16(22)13-5-4-6-15(8-13)25-3/h4-8,14,16,23H,9-11H2,1-3H3,(H,19,24)/t14-,16+/m1/s1.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129349963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).