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

C18H19ClN4O — CID 4975166

IUPAC4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2nc(C)c(-c3ccccc3Cl)c2n1
InChIInChI=1S/C18H19ClN4O/c1-12-11-16(22-7-9-24-10-8-22)23-18(20-12)17(13(2)21-23)14-5-3-4-6-15(14)19/h3-6,11H,7-10H2,1-2H3
InChIKeyQAUOLKCRRZQVHH-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.50
Rot. Bonds2

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

4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 4975166) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID4975166
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2nc(C)c(-c3ccccc3Cl)c2n1
InChIInChI=1S/C18H19ClN4O/c1-12-11-16(22-7-9-24-10-8-22)23-18(20-12)17(13(2)21-23)14-5-3-4-6-15(14)19/h3-6,11H,7-10H2,1-2H3
InChIKeyQAUOLKCRRZQVHH-UHFFFAOYSA-N
XLogP3.50
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Gandotinib
CID 46213929
8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 9909468
PD-171729
CID 9800614
4-(3-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1950294
4-(5,6-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4912264
3-(4-fluorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 647327
3-(4-Chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 753149
Pyrazolo[1,5-a]-1,3,5-triazine, 13-3
CID 42618209
Pyrazolo[1,5-a]-1,3,5-triazine, 13-9
CID 42618215
Butyl-[8-(2,4-dichloro-phenyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-yl]-ethyl-amine
CID 10111093
Cyclopropylmethyl-[8-(2,4-dichloro-phenyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-yl]-propyl-amine
CID 10294626
[8-(2,4-Dichloro-phenyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-yl]-dipropyl-amine
CID 10715520

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 4975166) is 4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cc(N2CCOCC2)n2nc(C)c(-c3ccccc3Cl)c2n1.
What is the InChIKey of 4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is QAUOLKCRRZQVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-12-11-16(22-7-9-24-10-8-22)23-18(20-12)17(13(2)21-23)14-5-3-4-6-15(14)19/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 342.83 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 4975166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).