4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

C17H23N5O — CID 127324357

IUPAC4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCn2cccn2)C(c2ccccc2)C1
InChIInChI=1S/C17H23N5O/c1-20-12-13-22(16(14-20)15-6-3-2-4-7-15)17(23)18-9-11-21-10-5-8-19-21/h2-8,10,16H,9,11-14H2,1H3,(H,18,23)
InChIKeyZPRQMIRCENUHNQ-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.58
Rot. Bonds4

About 4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide (PubChem CID 127324357) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
PubChem CID127324357
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCn2cccn2)C(c2ccccc2)C1
InChIInChI=1S/C17H23N5O/c1-20-12-13-22(16(14-20)15-6-3-2-4-7-15)17(23)18-9-11-21-10-5-8-19-21/h2-8,10,16H,9,11-14H2,1H3,(H,18,23)
InChIKeyZPRQMIRCENUHNQ-UHFFFAOYSA-N
XLogP1.58
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide
CID 60547515
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 95126723
4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 47041232
2-methyl-1-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111904659
4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide
CID 136577422
4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 60551187
(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 95680010
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide
CID 166210831
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757
(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide
CID 97040903
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide (CID 127324357) is 4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide is CN1CCN(C(=O)NCCn2cccn2)C(c2ccccc2)C1.
What is the InChIKey of 4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is ZPRQMIRCENUHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20-12-13-22(16(14-20)15-6-3-2-4-7-15)17(23)18-9-11-21-10-5-8-19-21/h2-8,10,16H,9,11-14H2,1H3,(H,18,23).
What are the key properties of 4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 127324357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).