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

C30H26ClN5O2 — CID 42877550

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)n3nc(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C30H26ClN5O2/c1-38-23-13-11-22(12-14-23)25-19-28(36-29(32-25)20-26(33-36)21-7-3-2-4-8-21)30(37)35-17-15-34(16-18-35)27-10-6-5-9-24(27)31/h2-14,19-20H,15-18H2,1H3
InChIKeyQERLJSBUXAIDPV-UHFFFAOYSA-N
MW524.02 g/mol
LogP5.69
Rot. Bonds5

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

[4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone (PubChem CID 42877550) has the molecular formula C30H26ClN5O2 and a molecular weight of 524.02 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
PubChem CID42877550
Molecular FormulaC30H26ClN5O2
Molecular Weight524.02 g/mol
Exact Mass523.18
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)n3nc(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C30H26ClN5O2/c1-38-23-13-11-22(12-14-23)25-19-28(36-29(32-25)20-26(33-36)21-7-3-2-4-8-21)30(37)35-17-15-34(16-18-35)27-10-6-5-9-24(27)31/h2-14,19-20H,15-18H2,1H3
InChIKeyQERLJSBUXAIDPV-UHFFFAOYSA-N
XLogP5.69
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.02
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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
[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone
CID 44602404
[4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 3959522
[2-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 46080290
[1-(2-chlorophenyl)-3-(4-nitrophenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1053670
[4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270014
[4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 3403374
[1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3954980
(4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 42877585
(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 46079190
[2-tert-butyl-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 46079997

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone (CID 42877550) is [4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)n3nc(-c4ccccc4)cc3n2)cc1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone?
The InChIKey is QERLJSBUXAIDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN5O2/c1-38-23-13-11-22(12-14-23)25-19-28(36-29(32-25)20-26(33-36)21-7-3-2-4-8-21)30(37)35-17-15-34(16-18-35)27-10-6-5-9-24(27)31/h2-14,19-20H,15-18H2,1H3.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone has a molecular weight of 524.02 g/mol, XLogP of 5.69, 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]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone is sourced from PubChem (CID 42877550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).