2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride

C20H29Cl2N5O — CID 120760755

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride
SMILESCl.Cl.N[C@@H]1CN(CC(=O)Nc2ccnn2C2CCCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H27N5O.2ClH/c21-18-13-24(12-17(18)15-6-2-1-3-7-15)14-20(26)23-19-10-11-22-25(19)16-8-4-5-9-16;;/h1-3,6-7,10-11,16-18H,4-5,8-9,12-14,21H2,(H,23,26);2*1H/t17-,18+;;/m0../s1
InChIKeyPDVLLEHZCYFFQK-OAMYOWMRSA-N
MW426.39 g/mol
LogP3.21
Rot. Bonds5

About 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride (PubChem CID 120760755) has the molecular formula C20H29Cl2N5O and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride
PubChem CID120760755
Molecular FormulaC20H29Cl2N5O
Molecular Weight426.39 g/mol
Exact Mass425.17
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride
SMILESCl.Cl.N[C@@H]1CN(CC(=O)Nc2ccnn2C2CCCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H27N5O.2ClH/c21-18-13-24(12-17(18)15-6-2-1-3-7-15)14-20(26)23-19-10-11-22-25(19)16-8-4-5-9-16;;/h1-3,6-7,10-11,16-18H,4-5,8-9,12-14,21H2,(H,23,26);2*1H/t17-,18+;;/m0../s1
InChIKeyPDVLLEHZCYFFQK-OAMYOWMRSA-N
XLogP3.21
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9438130
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CID 120761400
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2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 120761401
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide
CID 120762117
N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
CID 51224525
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride (CID 120760755) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride is Cl.Cl.N[C@@H]1CN(CC(=O)Nc2ccnn2C2CCCC2)C[C@H]1c1ccccc1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride?
The InChIKey is PDVLLEHZCYFFQK-OAMYOWMRSA-N. The full InChI is InChI=1S/C20H27N5O.2ClH/c21-18-13-24(12-17(18)15-6-2-1-3-7-15)14-20(26)23-19-10-11-22-25(19)16-8-4-5-9-16;;/h1-3,6-7,10-11,16-18H,4-5,8-9,12-14,21H2,(H,23,26);2*1H/t17-,18+;;/m0../s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120760755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).