6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H20ClN5O2 — CID 120801874

IUPAC6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN5O2/c1-12-15(19(27)25-17(23-12)5-6-22-25)10-18(26)24-8-7-21-11-16(24)13-3-2-4-14(20)9-13/h2-6,9,16,21-22H,7-8,10-11H2,1H3
InChIKeyGUBUHUDDUKXCBO-UHFFFAOYSA-N
MW385.86 g/mol
LogP1.70
Rot. Bonds3

About 6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 120801874) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID120801874
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN5O2/c1-12-15(19(27)25-17(23-12)5-6-22-25)10-18(26)24-8-7-21-11-16(24)13-3-2-4-14(20)9-13/h2-6,9,16,21-22H,7-8,10-11H2,1H3
InChIKeyGUBUHUDDUKXCBO-UHFFFAOYSA-N
XLogP1.70
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 120802977
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 120571003
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120802601
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 120802446
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
CID 120803044
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
2-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 120802910
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 120802359
6-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138997716
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-nitrophenyl)ethanone
CID 120802848

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 120801874) is 6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc[nH]n2c(=O)c1CC(=O)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GUBUHUDDUKXCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-12-15(19(27)25-17(23-12)5-6-22-25)10-18(26)24-8-7-21-11-16(24)13-3-2-4-14(20)9-13/h2-6,9,16,21-22H,7-8,10-11H2,1H3.
What are the key properties of 6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 385.86 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 120801874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).