(2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide

C17H21N5O2 — CID 96560368

IUPAC(2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H21N5O2/c1-12(2)15-16(23)18-8-9-21(15)17(24)20-13-10-19-22(11-13)14-6-4-3-5-7-14/h3-7,10-12,15H,8-9H2,1-2H3,(H,18,23)(H,20,24)/t15-/m1/s1
InChIKeyVNBXGUGIJZKOSG-OAHLLOKOSA-N
MW327.39 g/mol
LogP1.86
Rot. Bonds3

About (2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide

(2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide (PubChem CID 96560368) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide
PubChem CID96560368
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H21N5O2/c1-12(2)15-16(23)18-8-9-21(15)17(24)20-13-10-19-22(11-13)14-6-4-3-5-7-14/h3-7,10-12,15H,8-9H2,1-2H3,(H,18,23)(H,20,24)/t15-/m1/s1
InChIKeyVNBXGUGIJZKOSG-OAHLLOKOSA-N
XLogP1.86
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 95330957
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 118789970
9-methyl-N-(1-phenylpyrazol-4-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71867133
(2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 99809312
3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid
CID 126840528
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873351
3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide
CID 111458967
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one
CID 126802300
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
CID 119753020
4-methoxy-N-(1-phenylpyrazol-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119753029
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047

Frequently Asked Questions

What is the IUPAC name of (2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of (2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide (CID 96560368) is (2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide is CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cnn(-c2ccccc2)c1.
What is the InChIKey of (2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is VNBXGUGIJZKOSG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12(2)15-16(23)18-8-9-21(15)17(24)20-13-10-19-22(11-13)14-6-4-3-5-7-14/h3-7,10-12,15H,8-9H2,1-2H3,(H,18,23)(H,20,24)/t15-/m1/s1.
What are the key properties of (2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide?
(2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 96560368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).