[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

C18H18ClN5O — CID 19441887

IUPAC[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cc2ncccn2n1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18ClN5O/c19-15-4-2-14(3-5-15)13-22-8-10-23(11-9-22)18(25)16-12-17-20-6-1-7-24(17)21-16/h1-7,12H,8-11,13H2
InChIKeyJTIAJDAFSKOILN-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.34
Rot. Bonds3

About [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (PubChem CID 19441887) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
PubChem CID19441887
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cc2ncccn2n1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18ClN5O/c19-15-4-2-14(3-5-15)13-22-8-10-23(11-9-22)18(25)16-12-17-20-6-1-7-24(17)21-16/h1-7,12H,8-11,13H2
InChIKeyJTIAJDAFSKOILN-UHFFFAOYSA-N
XLogP2.34
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 19441888
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26756608
6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide
CID 136545594
[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19441793
[1-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19473181
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 138057617
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 34160717
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8595561
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-4-pyridinyl)methanone
CID 91648718
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19581278
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The IUPAC name of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (CID 19441887) is [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is O=C(c1cc2ncccn2n1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The InChIKey is JTIAJDAFSKOILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-15-4-2-14(3-5-15)13-22-8-10-23(11-9-22)18(25)16-12-17-20-6-1-7-24(17)21-16/h1-7,12H,8-11,13H2.
What are the key properties of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone has a molecular weight of 355.83 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 19441887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).