[1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol

C25H24F2N4O — CID 56932849

IUPAC[1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(-c2c(C)nn3c(-c4ccc(F)c(F)c4)cc(N4CCCC4CO)nc23)cc1
InChIInChI=1S/C25H24F2N4O/c1-15-5-7-17(8-6-15)24-16(2)29-31-22(18-9-10-20(26)21(27)12-18)13-23(28-25(24)31)30-11-3-4-19(30)14-32/h5-10,12-13,19,32H,3-4,11,14H2,1-2H3
InChIKeyMNBZDFHKNFYYDQ-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.92
Rot. Bonds4

About [1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol

[1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol (PubChem CID 56932849) has the molecular formula C25H24F2N4O and a molecular weight of 434.49 g/mol. Its IUPAC name is [1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
PubChem CID56932849
Molecular FormulaC25H24F2N4O
Molecular Weight434.49 g/mol
Exact Mass434.19
IUPAC Name[1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(-c2c(C)nn3c(-c4ccc(F)c(F)c4)cc(N4CCCC4CO)nc23)cc1
InChIInChI=1S/C25H24F2N4O/c1-15-5-7-17(8-6-15)24-16(2)29-31-22(18-9-10-20(26)21(27)12-18)13-23(28-25(24)31)30-11-3-4-19(30)14-32/h5-10,12-13,19,32H,3-4,11,14H2,1-2H3
InChIKeyMNBZDFHKNFYYDQ-UHFFFAOYSA-N
XLogP4.92
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol (CID 56932849) is [1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol is Cc1ccc(-c2c(C)nn3c(-c4ccc(F)c(F)c4)cc(N4CCCC4CO)nc23)cc1.
What is the InChIKey of [1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
The InChIKey is MNBZDFHKNFYYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O/c1-15-5-7-17(8-6-15)24-16(2)29-31-22(18-9-10-20(26)21(27)12-18)13-23(28-25(24)31)30-11-3-4-19(30)14-32/h5-10,12-13,19,32H,3-4,11,14H2,1-2H3.
What are the key properties of [1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
[1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol has a molecular weight of 434.49 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 56932849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).