GJKURPNQOJQXPQ-UHFFFAOYSA-N

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

C₂₀H₁₆F₃N₅O₂ — CID 126740610

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

IUPACN-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide

SMILESCc1cc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)ccc1OC(F)(F)F

InChIInChI=1S/C20H16F3N5O2/c1-13-8-14(3-5-17(13)30-20(21,22)23)9-19(29)26-18-6-7-28(27-18)12-16-4-2-15(10-24)11-25-16/h2-8,11H,9,12H2,1H3,(H,26,27,29)

InChIKeyGJKURPNQOJQXPQ-UHFFFAOYSA-N

MW415.38 g/mol

LogP3.59

Rot. Bonds6

About GJKURPNQOJQXPQ-UHFFFAOYSA-N

GJKURPNQOJQXPQ-UHFFFAOYSA-N (PubChem CID 126740610) has the molecular formula C₂₀H₁₆F₃N₅O₂ and a molecular weight of 415.38 g/mol. Its IUPAC name is N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name	GJKURPNQOJQXPQ-UHFFFAOYSA-N
PubChem CID	126740610
Molecular Formula	C₂₀H₁₆F₃N₅O₂
Molecular Weight	415.38 g/mol
Exact Mass	415.13
IUPAC Name	N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
SMILES	Cc1cc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)ccc1OC(F)(F)F
InChI	InChI=1S/C20H16F3N5O2/c1-13-8-14(3-5-17(13)30-20(21,22)23)9-19(29)26-18-6-7-28(27-18)12-16-4-2-15(10-24)11-25-16/h2-8,11H,9,12H2,1H3,(H,26,27,29)
InChIKey	GJKURPNQOJQXPQ-UHFFFAOYSA-N
XLogP	3.59
TPSA	92.83 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.38
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of GJKURPNQOJQXPQ-UHFFFAOYSA-N (CID 126740610) is N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide.

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

The canonical SMILES for GJKURPNQOJQXPQ-UHFFFAOYSA-N is Cc1cc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)ccc1OC(F)(F)F.

What is the InChIKey of GJKURPNQOJQXPQ-UHFFFAOYSA-N?

The InChIKey is GJKURPNQOJQXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2/c1-13-8-14(3-5-17(13)30-20(21,22)23)9-19(29)26-18-6-7-28(27-18)12-16-4-2-15(10-24)11-25-16/h2-8,11H,9,12H2,1H3,(H,26,27,29).

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

GJKURPNQOJQXPQ-UHFFFAOYSA-N has a molecular weight of 415.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for GJKURPNQOJQXPQ-UHFFFAOYSA-N is sourced from PubChem (CID 126740610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 126740610 — identifiers, structure, computed properties (public domain)

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