1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone

C19H19N5O2 — CID 124982773

IUPAC1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnn3cccnc23)[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H19N5O2/c1-14(25)22-10-11-23(17(13-22)15-6-3-2-4-7-15)19(26)16-12-21-24-9-5-8-20-18(16)24/h2-9,12,17H,10-11,13H2,1H3/t17-/m1/s1
InChIKeyMZLGYPYWBQQUIC-QGZVFWFLSA-N
MW349.39 g/mol
LogP1.77
Rot. Bonds2

About 1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone

1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 124982773) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID124982773
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnn3cccnc23)[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H19N5O2/c1-14(25)22-10-11-23(17(13-22)15-6-3-2-4-7-15)19(26)16-12-21-24-9-5-8-20-18(16)24/h2-9,12,17H,10-11,13H2,1H3/t17-/m1/s1
InChIKeyMZLGYPYWBQQUIC-QGZVFWFLSA-N
XLogP1.77
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110117619
1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 124951880
1-[(3S)-4-(2-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124986438
1-[4-(1-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 110097808
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 20895587
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729387
1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124956509
1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124948188
1-[4-(1-methylimidazole-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 155983621
[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 129369364
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118394
[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124956541

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone (CID 124982773) is 1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cnn3cccnc23)[C@@H](c2ccccc2)C1.
What is the InChIKey of 1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is MZLGYPYWBQQUIC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-14(25)22-10-11-23(17(13-22)15-6-3-2-4-7-15)19(26)16-12-21-24-9-5-8-20-18(16)24/h2-9,12,17H,10-11,13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone?
1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 349.39 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 124982773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).