5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide

C21H27N5O2 — CID 134079824

IUPAC5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide
SMILESCN(CC1CNNC1c1ccccc1)C(=O)C1CC(c2ccc(O)cc2)NN1
InChIInChI=1S/C21H27N5O2/c1-26(13-16-12-22-25-20(16)15-5-3-2-4-6-15)21(28)19-11-18(23-24-19)14-7-9-17(27)10-8-14/h2-10,16,18-20,22-25,27H,11-13H2,1H3
InChIKeyBZBVQXISUWRPKP-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.22
Rot. Bonds5

About 5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide

5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide (PubChem CID 134079824) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide
PubChem CID134079824
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide
SMILESCN(CC1CNNC1c1ccccc1)C(=O)C1CC(c2ccc(O)cc2)NN1
InChIInChI=1S/C21H27N5O2/c1-26(13-16-12-22-25-20(16)15-5-3-2-4-6-15)21(28)19-11-18(23-24-19)14-7-9-17(27)10-8-14/h2-10,16,18-20,22-25,27H,11-13H2,1H3
InChIKeyBZBVQXISUWRPKP-UHFFFAOYSA-N
XLogP1.22
TPSA88.66 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 134127176
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide
CID 75100887
N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide
CID 134067175
N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide
CID 78640428
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
CID 85482644
5-(4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazolidine-3-carboxamide
CID 134080957
5-(4-hydroxyphenyl)-N-[(1-phenylcyclopentyl)methyl]pyrazolidine-3-carboxamide
CID 134081161
N-[(4-chlorophenyl)methyl]-N-methyl-3-phenylpyrazolidine-4-carboxamide
CID 134057083
2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide
CID 78339992
N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine
CID 74809884

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide (CID 134079824) is 5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide is CN(CC1CNNC1c1ccccc1)C(=O)C1CC(c2ccc(O)cc2)NN1.
What is the InChIKey of 5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is BZBVQXISUWRPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-26(13-16-12-22-25-20(16)15-5-3-2-4-6-15)21(28)19-11-18(23-24-19)14-7-9-17(27)10-8-14/h2-10,16,18-20,22-25,27H,11-13H2,1H3.
What are the key properties of 5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide?
5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.22, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 134079824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).