1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

C19H26N4O — CID 124731950

IUPAC1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1
InChIInChI=1S/C19H26N4O/c1-3-21-11-12-22(16(2)14-21)19(24)10-9-17-13-20-23(15-17)18-7-5-4-6-8-18/h4-8,13,15-16H,3,9-12,14H2,1-2H3/t16-/m1/s1
InChIKeyJGQIALDOKWAQRM-MRXNPFEDSA-N
MW326.44 g/mol
LogP2.36
Rot. Bonds5

About 1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one (PubChem CID 124731950) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
PubChem CID124731950
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1
InChIInChI=1S/C19H26N4O/c1-3-21-11-12-22(16(2)14-21)19(24)10-9-17-13-20-23(15-17)18-7-5-4-6-8-18/h4-8,13,15-16H,3,9-12,14H2,1-2H3/t16-/m1/s1
InChIKeyJGQIALDOKWAQRM-MRXNPFEDSA-N
XLogP2.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 46458650
6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
CID 122114200
1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 71877362
1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-4-(4-phenylpiperazin-1-yl)butan-1-one
CID 124881894
3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 75524878
N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide
CID 55567246
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 94487032
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119649031
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119635459
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119434870
(3S)-2-[3-(1-phenylpyrazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125151408
1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 87011006

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one (CID 124731950) is 1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one is CCN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)[C@H](C)C1.
What is the InChIKey of 1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one?
The InChIKey is JGQIALDOKWAQRM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-21-11-12-22(16(2)14-21)19(24)10-9-17-13-20-23(15-17)18-7-5-4-6-8-18/h4-8,13,15-16H,3,9-12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one?
1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 124731950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).