3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

C17H18ClN5 — CID 126471525

IUPAC3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(c2ccnc3c(-c4ccc(Cl)cc4)cnn23)CC1
InChIInChI=1S/C17H18ClN5/c1-21-8-10-22(11-9-21)16-6-7-19-17-15(12-20-23(16)17)13-2-4-14(18)5-3-13/h2-7,12H,8-11H2,1H3
InChIKeyYMTDNCKQEZRHNN-UHFFFAOYSA-N
MW327.82 g/mol
LogP2.80
Rot. Bonds2

About 3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 126471525) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID126471525
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(c2ccnc3c(-c4ccc(Cl)cc4)cnn23)CC1
InChIInChI=1S/C17H18ClN5/c1-21-8-10-22(11-9-21)16-6-7-19-17-15(12-20-23(16)17)13-2-4-14(18)5-3-13/h2-7,12H,8-11H2,1H3
InChIKeyYMTDNCKQEZRHNN-UHFFFAOYSA-N
XLogP2.80
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 126471580
8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 126472620
3-(4-chlorophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56921519
6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68705646
3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 56922227
3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 105499879
3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 4975606
3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1477911
2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl chloride
CID 87217227
4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine
CID 66964832
methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1481755
[(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
CID 126473236

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 126471525) is 3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is CN1CCN(c2ccnc3c(-c4ccc(Cl)cc4)cnn23)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is YMTDNCKQEZRHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5/c1-21-8-10-22(11-9-21)16-6-7-19-17-15(12-20-23(16)17)13-2-4-14(18)5-3-13/h2-7,12H,8-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 327.82 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126471525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).