OTMNSFQIUBUPII-UHFFFAOYSA-N

Name: OTMNSFQIUBUPII-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₂H₂₇F₈N₃O₃ — CID 25231521

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[6-[2-[[2-ethyl-4-[4-(trifluoromethyl)cyclohexyl]phenyl]-difluoromethoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

SMILESCCc1cc(C2CCC(C(F)(F)F)CC2)ccc1C(F)(F)Oc1ccccc1-c1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)n1

InChIInChI=1S/C32H27F8N3O3/c1-2-18-16-20(19-10-13-21(14-11-19)30(33,34)35)12-15-24(18)32(39,40)46-26-8-4-3-6-22(26)25-7-5-9-27(42-25)43-28(31(36,37)38)23(17-41-43)29(44)45/h3-9,12,15-17,19,21H,2,10-11,13-14H2,1H3,(H,44,45)

InChIKeyOTMNSFQIUBUPII-UHFFFAOYSA-N

MW653.57 g/mol

LogP9.18

Rot. Bonds8

About OTMNSFQIUBUPII-UHFFFAOYSA-N

OTMNSFQIUBUPII-UHFFFAOYSA-N (PubChem CID 25231521) has the molecular formula C₃₂H₂₇F₈N₃O₃ and a molecular weight of 653.57 g/mol. Its IUPAC name is 1-[6-[2-[[2-ethyl-4-[4-(trifluoromethyl)cyclohexyl]phenyl]-difluoromethoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name	OTMNSFQIUBUPII-UHFFFAOYSA-N
PubChem CID	25231521
Molecular Formula	C₃₂H₂₇F₈N₃O₃
Molecular Weight	653.57 g/mol
Exact Mass	653.19
IUPAC Name	1-[6-[2-[[2-ethyl-4-[4-(trifluoromethyl)cyclohexyl]phenyl]-difluoromethoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILES	CCc1cc(C2CCC(C(F)(F)F)CC2)ccc1C(F)(F)Oc1ccccc1-c1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)n1
InChI	InChI=1S/C32H27F8N3O3/c1-2-18-16-20(19-10-13-21(14-11-19)30(33,34)35)12-15-24(18)32(39,40)46-26-8-4-3-6-22(26)25-7-5-9-27(42-25)43-28(31(36,37)38)23(17-41-43)29(44)45/h3-9,12,15-17,19,21H,2,10-11,13-14H2,1H3,(H,44,45)
InChIKey	OTMNSFQIUBUPII-UHFFFAOYSA-N
XLogP	9.18
TPSA	77.24 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.57
LogP ≤ 5	9.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of OTMNSFQIUBUPII-UHFFFAOYSA-N?

The IUPAC name of OTMNSFQIUBUPII-UHFFFAOYSA-N (CID 25231521) is 1-[6-[2-[[2-ethyl-4-[4-(trifluoromethyl)cyclohexyl]phenyl]-difluoromethoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

What is the SMILES notation for OTMNSFQIUBUPII-UHFFFAOYSA-N?

The canonical SMILES for OTMNSFQIUBUPII-UHFFFAOYSA-N is CCc1cc(C2CCC(C(F)(F)F)CC2)ccc1C(F)(F)Oc1ccccc1-c1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)n1.

What is the InChIKey of OTMNSFQIUBUPII-UHFFFAOYSA-N?

The InChIKey is OTMNSFQIUBUPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F8N3O3/c1-2-18-16-20(19-10-13-21(14-11-19)30(33,34)35)12-15-24(18)32(39,40)46-26-8-4-3-6-22(26)25-7-5-9-27(42-25)43-28(31(36,37)38)23(17-41-43)29(44)45/h3-9,12,15-17,19,21H,2,10-11,13-14H2,1H3,(H,44,45).

What are the key properties of OTMNSFQIUBUPII-UHFFFAOYSA-N?

OTMNSFQIUBUPII-UHFFFAOYSA-N has a molecular weight of 653.57 g/mol, XLogP of 9.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for OTMNSFQIUBUPII-UHFFFAOYSA-N is sourced from PubChem (CID 25231521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 25231521 — identifiers, structure, computed properties (public domain)

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