3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide

C21H27N3O2 — CID 131636104

IUPAC3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide
SMILESCCC(O)c1cc(C(=O)NC(C)c2ccccc2)ccc1C1CNNC1
InChIInChI=1S/C21H27N3O2/c1-3-20(25)19-11-16(9-10-18(19)17-12-22-23-13-17)21(26)24-14(2)15-7-5-4-6-8-15/h4-11,14,17,20,22-23,25H,3,12-13H2,1-2H3,(H,24,26)
InChIKeyVRTAOXFMVBVIIW-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.81
Rot. Bonds6

About 3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide

3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636104) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound Name3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide
PubChem CID131636104
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide
SMILESCCC(O)c1cc(C(=O)NC(C)c2ccccc2)ccc1C1CNNC1
InChIInChI=1S/C21H27N3O2/c1-3-20(25)19-11-16(9-10-18(19)17-12-22-23-13-17)21(26)24-14(2)15-7-5-4-6-8-15/h4-11,14,17,20,22-23,25H,3,12-13H2,1-2H3,(H,24,26)
InChIKeyVRTAOXFMVBVIIW-UHFFFAOYSA-N
XLogP2.81
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
CID 131635924
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635906
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
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
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide
CID 133108046
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131636002

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of 3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide (CID 131636104) is 3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for 3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for 3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide is CCC(O)c1cc(C(=O)NC(C)c2ccccc2)ccc1C1CNNC1.
What is the InChIKey of 3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide?
The InChIKey is VRTAOXFMVBVIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-20(25)19-11-16(9-10-18(19)17-12-22-23-13-17)21(26)24-14(2)15-7-5-4-6-8-15/h4-11,14,17,20,22-23,25H,3,12-13H2,1-2H3,(H,24,26).
What are the key properties of 3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide?
3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).