4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C19H21FN4O — CID 655208

IUPAC4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCCc1nn2c(N3CCOCC3)cc(C)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O/c1-3-16-18(14-4-6-15(20)7-5-14)19-21-13(2)12-17(24(19)22-16)23-8-10-25-11-9-23/h4-7,12H,3,8-11H2,1-2H3
InChIKeyBDCMNHJJSUIESJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.24
Rot. Bonds3

About 4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 655208) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID655208
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCCc1nn2c(N3CCOCC3)cc(C)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O/c1-3-16-18(14-4-6-15(20)7-5-14)19-21-13(2)12-17(24(19)22-16)23-8-10-25-11-9-23/h4-7,12H,3,8-11H2,1-2H3
InChIKeyBDCMNHJJSUIESJ-UHFFFAOYSA-N
XLogP3.24
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Apy0201
CID 56927660
Bay-41-8543
CID 9953906
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
3-[(3-Fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121426224
2-methyl-3-N-[2-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
CID 121426227
4-(3-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1950294
4-[2-[(8-Fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine
CID 2990846
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
2-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1069844
2,5,7-Trimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 617052
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-fluorophenyl)-
CID 3087235

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 655208) is 4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is CCc1nn2c(N3CCOCC3)cc(C)nc2c1-c1ccc(F)cc1.
What is the InChIKey of 4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is BDCMNHJJSUIESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-3-16-18(14-4-6-15(20)7-5-14)19-21-13(2)12-17(24(19)22-16)23-8-10-25-11-9-23/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 340.40 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 655208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).