2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol

C20H25ClN5O+ — CID 7740141

IUPAC2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol
SMILESCc1cc(N2CC[NH+](CCO)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H24ClN5O/c1-14-13-18(25-9-7-24(8-10-25)11-12-27)26-20(22-14)19(15(2)23-26)16-3-5-17(21)6-4-16/h3-6,13,27H,7-12H2,1-2H3/p+1
InChIKeyXDTPTQAVSIQDNC-UHFFFAOYSA-O
MW386.91 g/mol
LogP1.36
Rot. Bonds4

About 2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol

2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol (PubChem CID 7740141) has the molecular formula C20H25ClN5O+ and a molecular weight of 386.91 g/mol. Its IUPAC name is 2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol
PubChem CID7740141
Molecular FormulaC20H25ClN5O+
Molecular Weight386.91 g/mol
Exact Mass386.17
IUPAC Name2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol
SMILESCc1cc(N2CC[NH+](CCO)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H24ClN5O/c1-14-13-18(25-9-7-24(8-10-25)11-12-27)26-20(22-14)19(15(2)23-26)16-3-5-17(21)6-4-16/h3-6,13,27H,7-12H2,1-2H3/p+1
InChIKeyXDTPTQAVSIQDNC-UHFFFAOYSA-O
XLogP1.36
TPSA58.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol with MolForge

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Related Compounds

7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 3785760
2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 4144182
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine
CID 7599051
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide
CID 20861632
[1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 92665010
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 20861647
3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 16668295
3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 46299110
1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
CID 16674762
3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4639362
5-tert-butyl-3-(4-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 3818168
7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 20895239

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol (CID 7740141) is 2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol is Cc1cc(N2CC[NH+](CCO)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol?
The InChIKey is XDTPTQAVSIQDNC-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24ClN5O/c1-14-13-18(25-9-7-24(8-10-25)11-12-27)26-20(22-14)19(15(2)23-26)16-3-5-17(21)6-4-16/h3-6,13,27H,7-12H2,1-2H3/p+1.
What are the key properties of 2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol?
2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol has a molecular weight of 386.91 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol is sourced from PubChem (CID 7740141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).