ZJXZNHOYGZSREY-UHFFFAOYSA-N

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

C₂₅H₂₂Cl₂F₃N₅O₄S — CID 152662994

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

IUPACN-[4-chloro-2-[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carboxamide

SMILESCOC1(C(F)(F)F)CN(C(=O)c2cc(Cl)cc(C)c2NC(=O)c2cc(OC3CSC3)nn2-c2ncccc2Cl)C1

InChIInChI=1S/C25H22Cl2F3N5O4S/c1-13-6-14(26)7-16(23(37)34-11-24(12-34,38-2)25(28,29)30)20(13)32-22(36)18-8-19(39-15-9-40-10-15)33-35(18)21-17(27)4-3-5-31-21/h3-8,15H,9-12H2,1-2H3,(H,32,36)

InChIKeyZJXZNHOYGZSREY-UHFFFAOYSA-N

MW616.45 g/mol

LogP5.03

Rot. Bonds7

About ZJXZNHOYGZSREY-UHFFFAOYSA-N

ZJXZNHOYGZSREY-UHFFFAOYSA-N (PubChem CID 152662994) has the molecular formula C₂₅H₂₂Cl₂F₃N₅O₄S and a molecular weight of 616.45 g/mol. Its IUPAC name is N-[4-chloro-2-[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carboxamide.

Molecular Properties

Compound Name	ZJXZNHOYGZSREY-UHFFFAOYSA-N
PubChem CID	152662994
Molecular Formula	C₂₅H₂₂Cl₂F₃N₅O₄S
Molecular Weight	616.45 g/mol
Exact Mass	615.07
IUPAC Name	N-[4-chloro-2-[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carboxamide
SMILES	COC1(C(F)(F)F)CN(C(=O)c2cc(Cl)cc(C)c2NC(=O)c2cc(OC3CSC3)nn2-c2ncccc2Cl)C1
InChI	InChI=1S/C25H22Cl2F3N5O4S/c1-13-6-14(26)7-16(23(37)34-11-24(12-34,38-2)25(28,29)30)20(13)32-22(36)18-8-19(39-15-9-40-10-15)33-35(18)21-17(27)4-3-5-31-21/h3-8,15H,9-12H2,1-2H3,(H,32,36)
InChIKey	ZJXZNHOYGZSREY-UHFFFAOYSA-N
XLogP	5.03
TPSA	98.58 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.45
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of ZJXZNHOYGZSREY-UHFFFAOYSA-N (CID 152662994) is N-[4-chloro-2-[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carboxamide.

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

The canonical SMILES for ZJXZNHOYGZSREY-UHFFFAOYSA-N is COC1(C(F)(F)F)CN(C(=O)c2cc(Cl)cc(C)c2NC(=O)c2cc(OC3CSC3)nn2-c2ncccc2Cl)C1.

What is the InChIKey of ZJXZNHOYGZSREY-UHFFFAOYSA-N?

The InChIKey is ZJXZNHOYGZSREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2F3N5O4S/c1-13-6-14(26)7-16(23(37)34-11-24(12-34,38-2)25(28,29)30)20(13)32-22(36)18-8-19(39-15-9-40-10-15)33-35(18)21-17(27)4-3-5-31-21/h3-8,15H,9-12H2,1-2H3,(H,32,36).

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

ZJXZNHOYGZSREY-UHFFFAOYSA-N has a molecular weight of 616.45 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ZJXZNHOYGZSREY-UHFFFAOYSA-N is sourced from PubChem (CID 152662994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 152662994 — identifiers, structure, computed properties (public domain)

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