7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C38H45ClN10O — CID 158722755

IUPAC7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCN1CCN(c2ccc(-c3cc(=O)n4[nH]c(C)cc4n3)cc2)CC1.CCN1CCN(c2ccc(-c3cc(Cl)n4nc(C)cc4n3)cc2)CC1
InChIInChI=1S/C19H22ClN5.C19H23N5O/c1-3-23-8-10-24(11-9-23)16-6-4-15(5-7-16)17-13-18(20)25-19(21-17)12-14(2)22-25;1-3-22-8-10-23(11-9-22)16-6-4-15(5-7-16)17-13-19(25)24-18(20-17)12-14(2)21-24/h4-7,12-13H,3,8-11H2,1-2H3;4-7,12-13,21H,3,8-11H2,1-2H3
InChIKeyFORIYGYEVOKLGL-UHFFFAOYSA-N
MW693.30 g/mol
LogP5.64
Rot. Bonds6

About 7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 158722755) has the molecular formula C38H45ClN10O and a molecular weight of 693.30 g/mol. Its IUPAC name is 7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID158722755
Molecular FormulaC38H45ClN10O
Molecular Weight693.30 g/mol
Exact Mass692.35
IUPAC Name7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCN1CCN(c2ccc(-c3cc(=O)n4[nH]c(C)cc4n3)cc2)CC1.CCN1CCN(c2ccc(-c3cc(Cl)n4nc(C)cc4n3)cc2)CC1
InChIInChI=1S/C19H22ClN5.C19H23N5O/c1-3-23-8-10-24(11-9-23)16-6-4-15(5-7-16)17-13-18(20)25-19(21-17)12-14(2)22-25;1-3-22-8-10-23(11-9-22)16-6-4-15(5-7-16)17-13-19(25)24-18(20-17)12-14(2)21-24/h4-7,12-13H,3,8-11H2,1-2H3;4-7,12-13,21H,3,8-11H2,1-2H3
InChIKeyFORIYGYEVOKLGL-UHFFFAOYSA-N
XLogP5.64
TPSA93.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.30
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

3-[2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9550742
1-(3-Chlorophenyl)-4-[1-(4-ethylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-B]pyridine-4-carbonyl]piperazine
CID 16024416
1-[4-[2-(3-Chlorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]ethanone
CID 44602405
[4-[2-(3-Chlorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-phenylmethanone
CID 44602407
1-(3-chlorophenyl)-3-[[4-[3-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]-1H-pyrazol-5-yl]phenyl]methyl]urea
CID 71659355
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 16008279
4-{6-[(2-Chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-A]pyrimidine-3-carbonyl}-2-methyl-1-(4-methylphenyl)piperazine
CID 4581729
4-[4-(3-Chlorophenyl)piperazin-1-YL]-N'-{2-methyl-[1,2,4]triazolo[1,5-C]quinazolin-5-YL}-4-oxobutanehydrazide
CID 16008729
6-(4-chlorophenyl)-3-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 141727086
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16008283
1-[3-(4-Chlorophenyl)-5-[4-[(3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
CID 171351466
1-[4-[2-(3-Chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-2-phenylethanone
CID 45105082

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 158722755) is 7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCN1CCN(c2ccc(-c3cc(=O)n4[nH]c(C)cc4n3)cc2)CC1.CCN1CCN(c2ccc(-c3cc(Cl)n4nc(C)cc4n3)cc2)CC1.
What is the InChIKey of 7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FORIYGYEVOKLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5.C19H23N5O/c1-3-23-8-10-24(11-9-23)16-6-4-15(5-7-16)17-13-18(20)25-19(21-17)12-14(2)22-25;1-3-22-8-10-23(11-9-22)16-6-4-15(5-7-16)17-13-19(25)24-18(20-17)12-14(2)21-24/h4-7,12-13H,3,8-11H2,1-2H3;4-7,12-13,21H,3,8-11H2,1-2H3.
What are the key properties of 7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 693.30 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine;5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 158722755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).