N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide

C23H34N8O4 — CID 169069077

IUPACN-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(Cn1cccn1)(NC(=O)C1CC(O)CN1C(=O)[C@@H](n1cc(C2CC2)nn1)C(C)(C)C)C(N)=O
InChIInChI=1S/C23H34N8O4/c1-22(2,3)18(31-12-16(27-28-31)14-6-7-14)20(34)30-11-15(32)10-17(30)19(33)26-23(4,21(24)35)13-29-9-5-8-25-29/h5,8-9,12,14-15,17-18,32H,6-7,10-11,13H2,1-4H3,(H2,24,35)(H,26,33)/t15?,17?,18-,23?/m1/s1
InChIKeyNFRFFCVBASEVLU-DYBWBKINSA-N
MW486.58 g/mol
LogP-0.04
Rot. Bonds8

About N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide

N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 169069077) has the molecular formula C23H34N8O4 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID169069077
Molecular FormulaC23H34N8O4
Molecular Weight486.58 g/mol
Exact Mass486.27
IUPAC NameN-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(Cn1cccn1)(NC(=O)C1CC(O)CN1C(=O)[C@@H](n1cc(C2CC2)nn1)C(C)(C)C)C(N)=O
InChIInChI=1S/C23H34N8O4/c1-22(2,3)18(31-12-16(27-28-31)14-6-7-14)20(34)30-11-15(32)10-17(30)19(33)26-23(4,21(24)35)13-29-9-5-8-25-29/h5,8-9,12,14-15,17-18,32H,6-7,10-11,13H2,1-4H3,(H2,24,35)(H,26,33)/t15?,17?,18-,23?/m1/s1
InChIKeyNFRFFCVBASEVLU-DYBWBKINSA-N
XLogP-0.04
TPSA161.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 175466060
1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 175445039
(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-(2,2-dimethyl-1-pyrimidin-2-ylpropyl)-4-hydroxypyrrolidine-2-carboxamide
CID 146150974
1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 175941673
(2S,4R)-N-(4-carbamoylcyclohexyl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 163387065
1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(3-pyrimidin-2-yloxypropyl)pyrrolidine-2-carboxamide
CID 175466596
1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-(pyridin-4-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 175466612
N-[2-(4-cyclopropylpyrimidin-2-yl)ethyl]-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 169069028
N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 169069046
N-[1-carbamoyl-3-(hydroxymethyl)cyclobutyl]-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 169069041
methyl 4-[1-[(2S)-1-[(2S,4R)-4-hydroxy-2-(methylcarbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexane-1-carboxylate
CID 169068898
(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 146151304

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide (CID 169069077) is N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide is CC(Cn1cccn1)(NC(=O)C1CC(O)CN1C(=O)[C@@H](n1cc(C2CC2)nn1)C(C)(C)C)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is NFRFFCVBASEVLU-DYBWBKINSA-N. The full InChI is InChI=1S/C23H34N8O4/c1-22(2,3)18(31-12-16(27-28-31)14-6-7-14)20(34)30-11-15(32)10-17(30)19(33)26-23(4,21(24)35)13-29-9-5-8-25-29/h5,8-9,12,14-15,17-18,32H,6-7,10-11,13H2,1-4H3,(H2,24,35)(H,26,33)/t15?,17?,18-,23?/m1/s1.
What are the key properties of N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 486.58 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 169069077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).