[1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol

C27H29FN4O — CID 77156537

IUPAC[1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
SMILESCCCc1nn2c(-c3ccc(F)cc3)cc(N3CCCC3CO)nc2c1-c1ccc(C)cc1
InChIInChI=1S/C27H29FN4O/c1-3-5-23-26(20-9-7-18(2)8-10-20)27-29-25(31-15-4-6-22(31)17-33)16-24(32(27)30-23)19-11-13-21(28)14-12-19/h7-14,16,22,33H,3-6,15,17H2,1-2H3
InChIKeyALFRIVCTNQUNAJ-UHFFFAOYSA-N
MW444.55 g/mol
LogP5.42
Rot. Bonds6

About [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol

[1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol (PubChem CID 77156537) has the molecular formula C27H29FN4O and a molecular weight of 444.55 g/mol. Its IUPAC name is [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
PubChem CID77156537
Molecular FormulaC27H29FN4O
Molecular Weight444.55 g/mol
Exact Mass444.23
IUPAC Name[1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
SMILESCCCc1nn2c(-c3ccc(F)cc3)cc(N3CCCC3CO)nc2c1-c1ccc(C)cc1
InChIInChI=1S/C27H29FN4O/c1-3-5-23-26(20-9-7-18(2)8-10-20)27-29-25(31-15-4-6-22(31)17-33)16-24(32(27)30-23)19-11-13-21(28)14-12-19/h7-14,16,22,33H,3-6,15,17H2,1-2H3
InChIKeyALFRIVCTNQUNAJ-UHFFFAOYSA-N
XLogP5.42
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol (CID 77156537) is [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol is CCCc1nn2c(-c3ccc(F)cc3)cc(N3CCCC3CO)nc2c1-c1ccc(C)cc1.
What is the InChIKey of [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
The InChIKey is ALFRIVCTNQUNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O/c1-3-5-23-26(20-9-7-18(2)8-10-20)27-29-25(31-15-4-6-22(31)17-33)16-24(32(27)30-23)19-11-13-21(28)14-12-19/h7-14,16,22,33H,3-6,15,17H2,1-2H3.
What are the key properties of [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
[1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol has a molecular weight of 444.55 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 77156537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).