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

C31H29N5O2 — CID 42877585

IUPAC(4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C31H29N5O2/c1-38-29-15-9-8-14-25(29)27-20-28(36-30(32-27)21-26(33-36)24-12-6-3-7-13-24)31(37)35-18-16-34(17-19-35)22-23-10-4-2-5-11-23/h2-15,20-21H,16-19,22H2,1H3
InChIKeyJTUADZMTYAJMEY-UHFFFAOYSA-N
MW503.61 g/mol
LogP5.03
Rot. Bonds6

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

(4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone (PubChem CID 42877585) has the molecular formula C31H29N5O2 and a molecular weight of 503.61 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
PubChem CID42877585
Molecular FormulaC31H29N5O2
Molecular Weight503.61 g/mol
Exact Mass503.23
IUPAC Name(4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C31H29N5O2/c1-38-29-15-9-8-14-25(29)27-20-28(36-30(32-27)21-26(33-36)24-12-6-3-7-13-24)31(37)35-18-16-34(17-19-35)22-23-10-4-2-5-11-23/h2-15,20-21H,16-19,22H2,1H3
InChIKeyJTUADZMTYAJMEY-UHFFFAOYSA-N
XLogP5.03
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 55.03
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
(4-benzylpiperazin-1-yl)-[2-tert-butyl-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 46079983
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]methanone
CID 42877320
2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170554
[4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 42877550
5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877589
[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 42877309
[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
N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170549
(4-benzylpiperazin-1-yl)-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 42755463
(4-benzylpiperazin-1-yl)-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazol-5-yl]methanone
CID 4276918
ethyl (3S)-1-[5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl]piperidine-3-carboxylate
CID 93009059

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone (CID 42877585) is (4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone is COc1ccccc1-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone?
The InChIKey is JTUADZMTYAJMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O2/c1-38-29-15-9-8-14-25(29)27-20-28(36-30(32-27)21-26(33-36)24-12-6-3-7-13-24)31(37)35-18-16-34(17-19-35)22-23-10-4-2-5-11-23/h2-15,20-21H,16-19,22H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone?
(4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone has a molecular weight of 503.61 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone is sourced from PubChem (CID 42877585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).