7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine

C25H26ClN5 — CID 46299395

IUPAC7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1
InChIInChI=1S/C25H26ClN5/c1-18-16-23(30-14-12-29(13-15-30)17-20-6-4-3-5-7-20)31-25(27-18)19(2)24(28-31)21-8-10-22(26)11-9-21/h3-11,16H,12-15,17H2,1-2H3
InChIKeyHXTVOZLBCUYFEH-UHFFFAOYSA-N
MW431.97 g/mol
LogP4.99
Rot. Bonds4

About 7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine

7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 46299395) has the molecular formula C25H26ClN5 and a molecular weight of 431.97 g/mol. Its IUPAC name is 7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID46299395
Molecular FormulaC25H26ClN5
Molecular Weight431.97 g/mol
Exact Mass431.19
IUPAC Name7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1
InChIInChI=1S/C25H26ClN5/c1-18-16-23(30-14-12-29(13-15-30)17-20-6-4-3-5-7-20)31-25(27-18)19(2)24(28-31)21-8-10-22(26)11-9-21/h3-11,16H,12-15,17H2,1-2H3
InChIKeyHXTVOZLBCUYFEH-UHFFFAOYSA-N
XLogP4.99
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
PD-171729
CID 9800614
2-(7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine
CID 12612431
4-Chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 156612922
Piperidinyl triazole derivative 1
CID 53497458

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 46299395) is 7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(Cc3ccccc3)CC2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1.
What is the InChIKey of 7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is HXTVOZLBCUYFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5/c1-18-16-23(30-14-12-29(13-15-30)17-20-6-4-3-5-7-20)31-25(27-18)19(2)24(28-31)21-8-10-22(26)11-9-21/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of 7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 431.97 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46299395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).