4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid

C18H23N5O3 — CID 123279076

IUPAC4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(N2CCN(c3cc(=O)[nH]n3-c3ccccc3)CC2)CN1
InChIInChI=1S/C18H23N5O3/c24-16-11-17(23(20-16)13-4-2-1-3-5-13)22-8-6-21(7-9-22)14-10-15(18(25)26)19-12-14/h1-5,11,14-15,19H,6-10,12H2,(H,20,24)(H,25,26)
InChIKeyJPZDLKAKNOIVHJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.10
Rot. Bonds4

About 4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid

4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid (PubChem CID 123279076) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid
PubChem CID123279076
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(N2CCN(c3cc(=O)[nH]n3-c3ccccc3)CC2)CN1
InChIInChI=1S/C18H23N5O3/c24-16-11-17(23(20-16)13-4-2-1-3-5-13)22-8-6-21(7-9-22)14-10-15(18(25)26)19-12-14/h1-5,11,14-15,19H,6-10,12H2,(H,20,24)(H,25,26)
InChIKeyJPZDLKAKNOIVHJ-UHFFFAOYSA-N
XLogP0.10
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid
CID 118521792
[4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 22028937
(2R,4S)-4-phenylpyrrolidine-2-carboxylic acid
CID 56845333
[(2S,4S)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 141413532
[(2S,4S)-4-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
CID 67506436
(2S,4S)-4-(5-phenyl-1,2-dihydrotriazol-3-yl)pyrrolidine-2-carboxylic acid
CID 155323009
[4-[2,2,6,6-tetradeuterio-4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 59054426
[5,5-dideuterio-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 59054425
(3,3-difluoroazetidin-1-yl)-[(2S,4S)-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]pyrrolidin-2-yl]methanone
CID 68811410
(2S,4S)-4-[4-(2-chlorophenyl)triazol-1-yl]pyrrolidine-2-carboxylic acid
CID 56713119
(3,3-difluoroazetidin-1-yl)-[(4S)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-yl]methanone
CID 68812549
(4S)-1-phenylimidazolidine-4-carboxylic acid
CID 166481932

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid (CID 123279076) is 4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid is O=C(O)C1CC(N2CCN(c3cc(=O)[nH]n3-c3ccccc3)CC2)CN1.
What is the InChIKey of 4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is JPZDLKAKNOIVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-16-11-17(23(20-16)13-4-2-1-3-5-13)22-8-6-21(7-9-22)14-10-15(18(25)26)19-12-14/h1-5,11,14-15,19H,6-10,12H2,(H,20,24)(H,25,26).
What are the key properties of 4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid?
4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-oxo-2-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 123279076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).