1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole

C22H26F3N5O — CID 110261387

IUPAC1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole
SMILESCc1c(CN2CCC(c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cnn1C
InChIInChI=1S/C22H26F3N5O/c1-15-17(12-26-29(15)2)14-30-9-7-16(13-30)21-11-19(27-28-21)8-10-31-20-5-3-18(4-6-20)22(23,24)25/h3-6,11-12,16H,7-10,13-14H2,1-2H3,(H,27,28)
InChIKeyFRUJQFNJRFTBAA-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.08
Rot. Bonds7

About 1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole

1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole (PubChem CID 110261387) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole
PubChem CID110261387
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC Name1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole
SMILESCc1c(CN2CCC(c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cnn1C
InChIInChI=1S/C22H26F3N5O/c1-15-17(12-26-29(15)2)14-30-9-7-16(13-30)21-11-19(27-28-21)8-10-31-20-5-3-18(4-6-20)22(23,24)25/h3-6,11-12,16H,7-10,13-14H2,1-2H3,(H,27,28)
InChIKeyFRUJQFNJRFTBAA-UHFFFAOYSA-N
XLogP4.08
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole?
The IUPAC name of 1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole (CID 110261387) is 1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole.
What is the SMILES notation for 1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole?
The canonical SMILES for 1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole is Cc1c(CN2CCC(c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cnn1C.
What is the InChIKey of 1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole?
The InChIKey is FRUJQFNJRFTBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O/c1-15-17(12-26-29(15)2)14-30-9-7-16(13-30)21-11-19(27-28-21)8-10-31-20-5-3-18(4-6-20)22(23,24)25/h3-6,11-12,16H,7-10,13-14H2,1-2H3,(H,27,28).
What are the key properties of 1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole?
1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole has a molecular weight of 433.48 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole is sourced from PubChem (CID 110261387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).