2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide

C19H28FN3O3 — CID 133264938

IUPAC2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)CC2C(C)NNC2C)C2CC(O)C2)cc1F
InChIInChI=1S/C19H28FN3O3/c1-10-15(11(2)23-22-10)9-18(25)21-19(13-6-14(24)7-13)12-4-5-17(26-3)16(20)8-12/h4-5,8,10-11,13-15,19,22-24H,6-7,9H2,1-3H3,(H,21,25)
InChIKeyPQOGCCAGGKQCCF-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.65
Rot. Bonds6

About 2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide

2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide (PubChem CID 133264938) has the molecular formula C19H28FN3O3 and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide
PubChem CID133264938
Molecular FormulaC19H28FN3O3
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC Name2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)CC2C(C)NNC2C)C2CC(O)C2)cc1F
InChIInChI=1S/C19H28FN3O3/c1-10-15(11(2)23-22-10)9-18(25)21-19(13-6-14(24)7-13)12-4-5-17(26-3)16(20)8-12/h4-5,8,10-11,13-15,19,22-24H,6-7,9H2,1-3H3,(H,21,25)
InChIKeyPQOGCCAGGKQCCF-UHFFFAOYSA-N
XLogP1.65
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-methylsulfanylpropanamide
CID 91770108
3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide
CID 91782922
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 133268359
2-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide
CID 91786570
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 91762362
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide
CID 91769864
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide
CID 91782344
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 91775812
cis-(1S,2R)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51708004
2-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91790696
2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide
CID 91768425
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421239

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide (CID 133264938) is 2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide is COc1ccc(C(NC(=O)CC2C(C)NNC2C)C2CC(O)C2)cc1F.
What is the InChIKey of 2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide?
The InChIKey is PQOGCCAGGKQCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O3/c1-10-15(11(2)23-22-10)9-18(25)21-19(13-6-14(24)7-13)12-4-5-17(26-3)16(20)8-12/h4-5,8,10-11,13-15,19,22-24H,6-7,9H2,1-3H3,(H,21,25).
What are the key properties of 2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide?
2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide has a molecular weight of 365.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 133264938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).