2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone

C21H24FN5O — CID 134809978

IUPAC2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCc1nn2c(c1-c1ccnn1C(C)C)N(C(=O)Cc1cccc(F)c1)CCC2
InChIInChI=1S/C21H24FN5O/c1-14(2)27-18(8-9-23-27)20-15(3)24-26-11-5-10-25(21(20)26)19(28)13-16-6-4-7-17(22)12-16/h4,6-9,12,14H,5,10-11,13H2,1-3H3
InChIKeyRBBIFRSUGSIYCY-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.75
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone

2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (PubChem CID 134809978) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
PubChem CID134809978
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCc1nn2c(c1-c1ccnn1C(C)C)N(C(=O)Cc1cccc(F)c1)CCC2
InChIInChI=1S/C21H24FN5O/c1-14(2)27-18(8-9-23-27)20-15(3)24-26-11-5-10-25(21(20)26)19(28)13-16-6-4-7-17(22)12-16/h4,6-9,12,14H,5,10-11,13H2,1-3H3
InChIKeyRBBIFRSUGSIYCY-UHFFFAOYSA-N
XLogP3.75
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (CID 134809978) is 2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is Cc1nn2c(c1-c1ccnn1C(C)C)N(C(=O)Cc1cccc(F)c1)CCC2.
What is the InChIKey of 2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The InChIKey is RBBIFRSUGSIYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-14(2)27-18(8-9-23-27)20-15(3)24-26-11-5-10-25(21(20)26)19(28)13-16-6-4-7-17(22)12-16/h4,6-9,12,14H,5,10-11,13H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone has a molecular weight of 381.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is sourced from PubChem (CID 134809978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).