(2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid

C18H23N5O3 — CID 156701388

IUPAC(2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid
SMILESCc1cc([C@@H]2CN(C(=O)C(C)N)CCN2C(=O)O)n(-c2ccccc2)n1
InChIInChI=1S/C18H23N5O3/c1-12-10-15(23(20-12)14-6-4-3-5-7-14)16-11-21(17(24)13(2)19)8-9-22(16)18(25)26/h3-7,10,13,16H,8-9,11,19H2,1-2H3,(H,25,26)/t13?,16-/m0/s1
InChIKeyUKVMBHWYNPXDOI-VYIIXAMBSA-N
MW357.41 g/mol
LogP1.39
Rot. Bonds3

About (2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid

(2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid (PubChem CID 156701388) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid
PubChem CID156701388
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid
SMILESCc1cc([C@@H]2CN(C(=O)C(C)N)CCN2C(=O)O)n(-c2ccccc2)n1
InChIInChI=1S/C18H23N5O3/c1-12-10-15(23(20-12)14-6-4-3-5-7-14)16-11-21(17(24)13(2)19)8-9-22(16)18(25)26/h3-7,10,13,16H,8-9,11,19H2,1-2H3,(H,25,26)/t13?,16-/m0/s1
InChIKeyUKVMBHWYNPXDOI-VYIIXAMBSA-N
XLogP1.39
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-(2,4-diamino-4-oxobutanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid;hydrochloride
CID 156701381
(5-methyl-2-phenylpyrazol-3-yl) 4-(2-amino-3-methylbutanoyl)-2-methylpiperazine-1-carboxylate
CID 166664825
(5-methyl-2-phenylpyrazol-3-yl) 4-[(2S)-2-amino-3-methylbutanoyl]-2-ethylpiperazine-1-carboxylate
CID 146448868
3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride
CID 22853240
(2S)-4-[(2S)-2-amino-3-methylbutanoyl]-2-methyl-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid
CID 156701386
(5-methyl-2-phenylpyrazol-3-yl) 4-[(2S)-2,6-diaminohexanoyl]piperazine-1-carboxylate;dihydrochloride
CID 146448775
methyl 1-(2,2-diphenylacetyl)-4-(5-methyl-2-phenylpyrazol-3-yl)piperazine-2-carboxylate
CID 123188697
(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate
CID 155801750
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide
CID 169115911
2-amino-1-[(3S)-3-[benzyl(propan-2-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 121226156

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid?
The IUPAC name of (2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid (CID 156701388) is (2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for (2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid?
The canonical SMILES for (2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid is Cc1cc([C@@H]2CN(C(=O)C(C)N)CCN2C(=O)O)n(-c2ccccc2)n1.
What is the InChIKey of (2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid?
The InChIKey is UKVMBHWYNPXDOI-VYIIXAMBSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-10-15(23(20-12)14-6-4-3-5-7-14)16-11-21(17(24)13(2)19)8-9-22(16)18(25)26/h3-7,10,13,16H,8-9,11,19H2,1-2H3,(H,25,26)/t13?,16-/m0/s1.
What are the key properties of (2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid?
(2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-aminopropanoyl)-2-(5-methyl-2-phenylpyrazol-3-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 156701388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).