2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide

C20H29N5O — CID 120762117

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C[C@@H](N)[C@H](c3ccccc3)C2)n(C(C)(C)C)n1
InChIInChI=1S/C20H29N5O/c1-14-10-18(25(23-14)20(2,3)4)22-19(26)13-24-11-16(17(21)12-24)15-8-6-5-7-9-15/h5-10,16-17H,11-13,21H2,1-4H3,(H,22,26)/t16-,17+/m0/s1
InChIKeyKUVANBSRDZHPBR-DLBZAZTESA-N
MW355.49 g/mol
LogP2.31
Rot. Bonds4

About 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide (PubChem CID 120762117) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide
PubChem CID120762117
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C[C@@H](N)[C@H](c3ccccc3)C2)n(C(C)(C)C)n1
InChIInChI=1S/C20H29N5O/c1-14-10-18(25(23-14)20(2,3)4)22-19(26)13-24-11-16(17(21)12-24)15-8-6-5-7-9-15/h5-10,16-17H,11-13,21H2,1-4H3,(H,22,26)/t16-,17+/m0/s1
InChIKeyKUVANBSRDZHPBR-DLBZAZTESA-N
XLogP2.31
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S,3S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide
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CID 5330960
CID 5330960
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N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide
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2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(1-phenylethyl)acetamide
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N-tert-butyl-2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide (CID 120762117) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CN2C[C@@H](N)[C@H](c3ccccc3)C2)n(C(C)(C)C)n1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide?
The InChIKey is KUVANBSRDZHPBR-DLBZAZTESA-N. The full InChI is InChI=1S/C20H29N5O/c1-14-10-18(25(23-14)20(2,3)4)22-19(26)13-24-11-16(17(21)12-24)15-8-6-5-7-9-15/h5-10,16-17H,11-13,21H2,1-4H3,(H,22,26)/t16-,17+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide has a molecular weight of 355.49 g/mol, XLogP of 2.31, 4 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-tert-butyl-5-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 120762117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).