(2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid

C19H18N6O3 — CID 95555168

IUPAC(2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(c2ncccn2)CCN1C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H18N6O3/c26-17(15-11-14(22-23-15)13-5-2-1-3-6-13)25-10-9-24(12-16(25)18(27)28)19-20-7-4-8-21-19/h1-8,11,16H,9-10,12H2,(H,22,23)(H,27,28)/t16-/m1/s1
InChIKeyKLHWAHRBSOPCFI-MRXNPFEDSA-N
MW378.39 g/mol
LogP1.28
Rot. Bonds4

About (2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid

(2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid (PubChem CID 95555168) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is (2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
PubChem CID95555168
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name(2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(c2ncccn2)CCN1C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H18N6O3/c26-17(15-11-14(22-23-15)13-5-2-1-3-6-13)25-10-9-24(12-16(25)18(27)28)19-20-7-4-8-21-19/h1-8,11,16H,9-10,12H2,(H,22,23)(H,27,28)/t16-/m1/s1
InChIKeyKLHWAHRBSOPCFI-MRXNPFEDSA-N
XLogP1.28
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]azetidine-2-carboxylic acid
CID 97274526
(2S)-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 94074907
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
(2S)-1-(3-methylfuran-2-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 95557246
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 166214851
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682
(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 119472810
[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 50800047
(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024085
(3-phenyl-1H-pyrazol-5-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247037
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906512
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid (CID 95555168) is (2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid is O=C(O)[C@H]1CN(c2ncccn2)CCN1C(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of (2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The InChIKey is KLHWAHRBSOPCFI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N6O3/c26-17(15-11-14(22-23-15)13-5-2-1-3-6-13)25-10-9-24(12-16(25)18(27)28)19-20-7-4-8-21-19/h1-8,11,16H,9-10,12H2,(H,22,23)(H,27,28)/t16-/m1/s1.
What are the key properties of (2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
(2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid has a molecular weight of 378.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid is sourced from PubChem (CID 95555168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).