[4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone

C25H24ClN5O2 — CID 3403374

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCOCc1c(C(=O)N2CCN(c3ccccc3Cl)CC2)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C25H24ClN5O2/c1-33-17-23-19(16-27-24-15-21(28-31(23)24)18-7-3-2-4-8-18)25(32)30-13-11-29(12-14-30)22-10-6-5-9-20(22)26/h2-10,15-16H,11-14,17H2,1H3
InChIKeyPXWPFKCKMWBNPW-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.16
Rot. Bonds5

About [4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone

[4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone (PubChem CID 3403374) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
PubChem CID3403374
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCOCc1c(C(=O)N2CCN(c3ccccc3Cl)CC2)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C25H24ClN5O2/c1-33-17-23-19(16-27-24-15-21(28-31(23)24)18-7-3-2-4-8-18)25(32)30-13-11-29(12-14-30)22-10-6-5-9-20(22)26/h2-10,15-16H,11-14,17H2,1H3
InChIKeyPXWPFKCKMWBNPW-UHFFFAOYSA-N
XLogP4.16
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 4001881
(4-benzhydrylpiperazin-1-yl)-[2-(4-chlorophenyl)-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 5010610
(4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 3947805
[4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 42877550
1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
CID 3983688
[4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 9209986
(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 16925613
[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 42752729
[2-(4-chlorophenyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 46170557
[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3907292
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 121050134
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone (CID 3403374) is [4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone is COCc1c(C(=O)N2CCN(c3ccccc3Cl)CC2)cnc2cc(-c3ccccc3)nn12.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The InChIKey is PXWPFKCKMWBNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c1-33-17-23-19(16-27-24-15-21(28-31(23)24)18-7-3-2-4-8-18)25(32)30-13-11-29(12-14-30)22-10-6-5-9-20(22)26/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone has a molecular weight of 461.95 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone is sourced from PubChem (CID 3403374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).