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

C21H25ClN4O — CID 2026063

IUPAC4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1nn2c(N3CCOCC3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN4O/c1-14-19(15-5-7-16(22)8-6-15)20-23-17(21(2,3)4)13-18(26(20)24-14)25-9-11-27-12-10-25/h5-8,13H,9-12H2,1-4H3
InChIKeyJXYIARBTNUNUNA-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.49
Rot. Bonds2

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

4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 2026063) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID2026063
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1nn2c(N3CCOCC3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN4O/c1-14-19(15-5-7-16(22)8-6-15)20-23-17(21(2,3)4)13-18(26(20)24-14)25-9-11-27-12-10-25/h5-8,13H,9-12H2,1-4H3
InChIKeyJXYIARBTNUNUNA-UHFFFAOYSA-N
XLogP4.49
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Gandotinib
CID 46213929
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CID 9909468
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
4-(3-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1950294
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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
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
4-(2-Methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1850847

Frequently Asked Questions

What is the IUPAC name of 4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 2026063) is 4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1nn2c(N3CCOCC3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is JXYIARBTNUNUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-14-19(15-5-7-16(22)8-6-15)20-23-17(21(2,3)4)13-18(26(20)24-14)25-9-11-27-12-10-25/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 384.91 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 2026063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).