3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide

C19H23N3O2 — CID 131635924

IUPAC3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C1CNNC1
InChIInChI=1S/C19H23N3O2/c1-13(14-6-4-3-5-7-14)22-19(23)15-8-9-17(18(10-15)24-2)16-11-20-21-12-16/h3-10,13,16,20-21H,11-12H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyUMZWPAWULDRFQH-CYBMUJFWSA-N
MW325.41 g/mol
LogP2.38
Rot. Bonds5

About 3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide

3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635924) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
PubChem CID131635924
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C1CNNC1
InChIInChI=1S/C19H23N3O2/c1-13(14-6-4-3-5-7-14)22-19(23)15-8-9-17(18(10-15)24-2)16-11-20-21-12-16/h3-10,13,16,20-21H,11-12H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyUMZWPAWULDRFQH-CYBMUJFWSA-N
XLogP2.38
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635906
N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635882
N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131636002
N-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131636065
3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide
CID 131636104
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of 3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide (CID 131635924) is 3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for 3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for 3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C1CNNC1.
What is the InChIKey of 3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide?
The InChIKey is UMZWPAWULDRFQH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(14-6-4-3-5-7-14)22-19(23)15-8-9-17(18(10-15)24-2)16-11-20-21-12-16/h3-10,13,16,20-21H,11-12H2,1-2H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide?
3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).