1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone

C19H24ClN5O — CID 20951632

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone
SMILESCc1cc2n(n1)CCCN2CC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClN5O/c1-15-13-18-24(7-2-8-25(18)21-15)14-19(26)23-11-9-22(10-12-23)17-5-3-16(20)4-6-17/h3-6,13H,2,7-12,14H2,1H3
InChIKeyXRXNJRPAPWHLEF-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.40
Rot. Bonds3

About 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone (PubChem CID 20951632) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone
PubChem CID20951632
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone
SMILESCc1cc2n(n1)CCCN2CC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClN5O/c1-15-13-18-24(7-2-8-25(18)21-15)14-19(26)23-11-9-22(10-12-23)17-5-3-16(20)4-6-17/h3-6,13H,2,7-12,14H2,1H3
InChIKeyXRXNJRPAPWHLEF-UHFFFAOYSA-N
XLogP2.40
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20928916
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90495503
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
4-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920100
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 46339583
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 142843300
3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4692412
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-methyl-5-methylsulfanyl-1,2,4-triazol-1-yl)ethanone
CID 142843319
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 27009750
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 55969661

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone (CID 20951632) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone is Cc1cc2n(n1)CCCN2CC(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone?
The InChIKey is XRXNJRPAPWHLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-15-13-18-24(7-2-8-25(18)21-15)14-19(26)23-11-9-22(10-12-23)17-5-3-16(20)4-6-17/h3-6,13H,2,7-12,14H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone?
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone has a molecular weight of 373.89 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone is sourced from PubChem (CID 20951632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).