N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

C20H25N3O3 — CID 131635906

IUPACN-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)N[C@H](C)[C@@H](O)c2ccccc2)ccc1C1CNNC1
InChIInChI=1S/C20H25N3O3/c1-13(19(24)14-6-4-3-5-7-14)23-20(25)15-8-9-17(18(10-15)26-2)16-11-21-22-12-16/h3-10,13,16,19,21-22,24H,11-12H2,1-2H3,(H,23,25)/t13-,19-/m1/s1
InChIKeyKJNZOOLIZXSLLO-BFUOFWGJSA-N
MW355.44 g/mol
LogP1.74
Rot. Bonds6

About N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635906) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131635906
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)N[C@H](C)[C@@H](O)c2ccccc2)ccc1C1CNNC1
InChIInChI=1S/C20H25N3O3/c1-13(19(24)14-6-4-3-5-7-14)23-20(25)15-8-9-17(18(10-15)26-2)16-11-21-22-12-16/h3-10,13,16,19,21-22,24H,11-12H2,1-2H3,(H,23,25)/t13-,19-/m1/s1
InChIKeyKJNZOOLIZXSLLO-BFUOFWGJSA-N
XLogP1.74
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
CID 131635924
N-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131636065
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-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90354062
3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide
CID 131636104
3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 40648027
4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 154861680
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131635906) is N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)N[C@H](C)[C@@H](O)c2ccccc2)ccc1C1CNNC1.
What is the InChIKey of N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is KJNZOOLIZXSLLO-BFUOFWGJSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(19(24)14-6-4-3-5-7-14)23-20(25)15-8-9-17(18(10-15)26-2)16-11-21-22-12-16/h3-10,13,16,19,21-22,24H,11-12H2,1-2H3,(H,23,25)/t13-,19-/m1/s1.
What are the key properties of N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).