1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol

C25H24FN3O2 — CID 67242335

IUPAC1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1cc(-c2ccc(F)cc2)ccc1C(c1cn[nH]c1-c1ccco1)N1CCC(O)C1
InChIInChI=1S/C25H24FN3O2/c1-16-13-18(17-4-7-19(26)8-5-17)6-9-21(16)25(29-11-10-20(30)15-29)22-14-27-28-24(22)23-3-2-12-31-23/h2-9,12-14,20,25,30H,10-11,15H2,1H3,(H,27,28)
InChIKeyJPCLLEYEGCYPJP-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.94
Rot. Bonds5

About 1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol

1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol (PubChem CID 67242335) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol
PubChem CID67242335
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1cc(-c2ccc(F)cc2)ccc1C(c1cn[nH]c1-c1ccco1)N1CCC(O)C1
InChIInChI=1S/C25H24FN3O2/c1-16-13-18(17-4-7-19(26)8-5-17)6-9-21(16)25(29-11-10-20(30)15-29)22-14-27-28-24(22)23-3-2-12-31-23/h2-9,12-14,20,25,30H,10-11,15H2,1H3,(H,27,28)
InChIKeyJPCLLEYEGCYPJP-UHFFFAOYSA-N
XLogP4.94
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol (CID 67242335) is 1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol is Cc1cc(-c2ccc(F)cc2)ccc1C(c1cn[nH]c1-c1ccco1)N1CCC(O)C1.
What is the InChIKey of 1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The InChIKey is JPCLLEYEGCYPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-16-13-18(17-4-7-19(26)8-5-17)6-9-21(16)25(29-11-10-20(30)15-29)22-14-27-28-24(22)23-3-2-12-31-23/h2-9,12-14,20,25,30H,10-11,15H2,1H3,(H,27,28).
What are the key properties of 1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol?
1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol has a molecular weight of 417.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenyl)-2-methylphenyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 67242335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).