2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide

C17H21N5O2 — CID 35878494

IUPAC2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(N)=O
InChIInChI=1S/C17H21N5O2/c1-11-15(12(2)22(20-11)13-6-4-3-5-7-13)16-17(24)19-8-9-21(16)10-14(18)23/h3-7,16H,8-10H2,1-2H3,(H2,18,23)(H,19,24)/t16-/m1/s1
InChIKeyDEVHDQRGDCXLTP-MRXNPFEDSA-N
MW327.39 g/mol
LogP0.45
Rot. Bonds4

About 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide

2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide (PubChem CID 35878494) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide
PubChem CID35878494
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(N)=O
InChIInChI=1S/C17H21N5O2/c1-11-15(12(2)22(20-11)13-6-4-3-5-7-13)16-17(24)19-8-9-21(16)10-14(18)23/h3-7,16H,8-10H2,1-2H3,(H2,18,23)(H,19,24)/t16-/m1/s1
InChIKeyDEVHDQRGDCXLTP-MRXNPFEDSA-N
XLogP0.45
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide?
The IUPAC name of 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide (CID 35878494) is 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide.
What is the SMILES notation for 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide?
The canonical SMILES for 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide is Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(N)=O.
What is the InChIKey of 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide?
The InChIKey is DEVHDQRGDCXLTP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-15(12(2)22(20-11)13-6-4-3-5-7-13)16-17(24)19-8-9-21(16)10-14(18)23/h3-7,16H,8-10H2,1-2H3,(H2,18,23)(H,19,24)/t16-/m1/s1.
What are the key properties of 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide?
2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide is sourced from PubChem (CID 35878494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).