N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide

C23H26N4O — CID 22115333

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc(-c2ccccc2)n1)NCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H26N4O/c28-23(18-27-14-12-22(25-27)21-9-5-2-6-10-21)24-15-20-11-13-26(17-20)16-19-7-3-1-4-8-19/h1-10,12,14,20H,11,13,15-18H2,(H,24,28)
InChIKeyFPXWSOZSYJHYIH-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.19
Rot. Bonds7

About N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide

N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide (PubChem CID 22115333) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide
PubChem CID22115333
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc(-c2ccccc2)n1)NCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H26N4O/c28-23(18-27-14-12-22(25-27)21-9-5-2-6-10-21)24-15-20-11-13-26(17-20)16-19-7-3-1-4-8-19/h1-10,12,14,20H,11,13,15-18H2,(H,24,28)
InChIKeyFPXWSOZSYJHYIH-UHFFFAOYSA-N
XLogP3.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[(1-benzylpyrrolidin-3-yl)methyl]-3-ethylsulfanylpropanamide
CID 118788894
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 56703727
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 125155135
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine
CID 124628337
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 77092347

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide (CID 22115333) is N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide is O=C(Cn1ccc(-c2ccccc2)n1)NCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide?
The InChIKey is FPXWSOZSYJHYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(18-27-14-12-22(25-27)21-9-5-2-6-10-21)24-15-20-11-13-26(17-20)16-19-7-3-1-4-8-19/h1-10,12,14,20H,11,13,15-18H2,(H,24,28).
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide?
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide is sourced from PubChem (CID 22115333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).