[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone

C24H29F3N4O3 — CID 25206262

IUPAC[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone
SMILESCc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CC[C@@H](O)C2)CC1
InChIInChI=1S/C24H29F3N4O3/c1-15-21(23(33)29-10-7-17(8-11-29)30-12-9-19(32)14-30)22(16-5-6-16)31(28-15)18-3-2-4-20(13-18)34-24(25,26)27/h2-4,13,16-17,19,32H,5-12,14H2,1H3/t19-/m1/s1
InChIKeyPEGVHMCCEGXUIW-LJQANCHMSA-N
MW478.52 g/mol
LogP3.63
Rot. Bonds5

About [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone

[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone (PubChem CID 25206262) has the molecular formula C24H29F3N4O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone
PubChem CID25206262
Molecular FormulaC24H29F3N4O3
Molecular Weight478.52 g/mol
Exact Mass478.22
IUPAC Name[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone
SMILESCc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CC[C@@H](O)C2)CC1
InChIInChI=1S/C24H29F3N4O3/c1-15-21(23(33)29-10-7-17(8-11-29)30-12-9-19(32)14-30)22(16-5-6-16)31(28-15)18-3-2-4-20(13-18)34-24(25,26)27/h2-4,13,16-17,19,32H,5-12,14H2,1H3/t19-/m1/s1
InChIKeyPEGVHMCCEGXUIW-LJQANCHMSA-N
XLogP3.63
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone (CID 25206262) is [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone is Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CC[C@@H](O)C2)CC1.
What is the InChIKey of [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is PEGVHMCCEGXUIW-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29F3N4O3/c1-15-21(23(33)29-10-7-17(8-11-29)30-12-9-19(32)14-30)22(16-5-6-16)31(28-15)18-3-2-4-20(13-18)34-24(25,26)27/h2-4,13,16-17,19,32H,5-12,14H2,1H3/t19-/m1/s1.
What are the key properties of [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone?
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 478.52 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 25206262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).