N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide

C21H27N3O — CID 78081233

IUPACN-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide
SMILESCCCC1CC(C(=O)N(C)Cc2ccc(-c3ccccc3)cc2)NN1
InChIInChI=1S/C21H27N3O/c1-3-7-19-14-20(23-22-19)21(25)24(2)15-16-10-12-18(13-11-16)17-8-5-4-6-9-17/h4-6,8-13,19-20,22-23H,3,7,14-15H2,1-2H3
InChIKeyXZQVPPJKDMAYQH-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.35
Rot. Bonds6

About N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide

N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide (PubChem CID 78081233) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide
PubChem CID78081233
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide
SMILESCCCC1CC(C(=O)N(C)Cc2ccc(-c3ccccc3)cc2)NN1
InChIInChI=1S/C21H27N3O/c1-3-7-19-14-20(23-22-19)21(25)24(2)15-16-10-12-18(13-11-16)17-8-5-4-6-9-17/h4-6,8-13,19-20,22-23H,3,7,14-15H2,1-2H3
InChIKeyXZQVPPJKDMAYQH-UHFFFAOYSA-N
XLogP3.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912
5-propyl-N,N-bis(pyridin-3-ylmethyl)pyrazolidine-3-carboxamide
CID 75257558
trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide
CID 97061376
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide
CID 75258578
trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 133267652
N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide
CID 134054105
N-[(5-ethyl-2-pyridinyl)methyl]-5-(indol-1-ylmethyl)-N-methylpyrazolidine-3-carboxamide
CID 74416032
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide
CID 166403235
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide
CID 74809978

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide (CID 78081233) is N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide is CCCC1CC(C(=O)N(C)Cc2ccc(-c3ccccc3)cc2)NN1.
What is the InChIKey of N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide?
The InChIKey is XZQVPPJKDMAYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-3-7-19-14-20(23-22-19)21(25)24(2)15-16-10-12-18(13-11-16)17-8-5-4-6-9-17/h4-6,8-13,19-20,22-23H,3,7,14-15H2,1-2H3.
What are the key properties of N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide?
N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide is sourced from PubChem (CID 78081233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).