BNGZGHJLRLYZLX-XPCCGILXSA-N

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

C₁₉H₂₀F₃N₇O₂ — CID 121391030

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

IUPAC(2R)-3-[4-[4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol

SMILESCCC(n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(F)(F)F

InChIInChI=1S/C19H20F3N7O2/c1-2-17(19(20,21)22)29-8-13(6-25-29)18-16-3-4-23-28(16)10-15(26-18)12-5-24-27(7-12)9-14(31)11-30/h3-8,10,14,17,30-31H,2,9,11H2,1H3/t14-,17?/m1/s1

InChIKeyBNGZGHJLRLYZLX-XPCCGILXSA-N

MW435.41 g/mol

LogP2.32

Rot. Bonds7

About BNGZGHJLRLYZLX-XPCCGILXSA-N

BNGZGHJLRLYZLX-XPCCGILXSA-N (PubChem CID 121391030) has the molecular formula C₁₉H₂₀F₃N₇O₂ and a molecular weight of 435.41 g/mol. Its IUPAC name is (2R)-3-[4-[4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name	BNGZGHJLRLYZLX-XPCCGILXSA-N
PubChem CID	121391030
Molecular Formula	C₁₉H₂₀F₃N₇O₂
Molecular Weight	435.41 g/mol
Exact Mass	435.16
IUPAC Name	(2R)-3-[4-[4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILES	CCC(n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(F)(F)F
InChI	InChI=1S/C19H20F3N7O2/c1-2-17(19(20,21)22)29-8-13(6-25-29)18-16-3-4-23-28(16)10-15(26-18)12-5-24-27(7-12)9-14(31)11-30/h3-8,10,14,17,30-31H,2,9,11H2,1H3/t14-,17?/m1/s1
InChIKey	BNGZGHJLRLYZLX-XPCCGILXSA-N
XLogP	2.32
TPSA	106.29 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.41
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of BNGZGHJLRLYZLX-XPCCGILXSA-N?

The IUPAC name of BNGZGHJLRLYZLX-XPCCGILXSA-N (CID 121391030) is (2R)-3-[4-[4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol.

What is the SMILES notation for BNGZGHJLRLYZLX-XPCCGILXSA-N?

The canonical SMILES for BNGZGHJLRLYZLX-XPCCGILXSA-N is CCC(n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(F)(F)F.

What is the InChIKey of BNGZGHJLRLYZLX-XPCCGILXSA-N?

The InChIKey is BNGZGHJLRLYZLX-XPCCGILXSA-N. The full InChI is InChI=1S/C19H20F3N7O2/c1-2-17(19(20,21)22)29-8-13(6-25-29)18-16-3-4-23-28(16)10-15(26-18)12-5-24-27(7-12)9-14(31)11-30/h3-8,10,14,17,30-31H,2,9,11H2,1H3/t14-,17?/m1/s1.

What are the key properties of BNGZGHJLRLYZLX-XPCCGILXSA-N?

BNGZGHJLRLYZLX-XPCCGILXSA-N has a molecular weight of 435.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for BNGZGHJLRLYZLX-XPCCGILXSA-N is sourced from PubChem (CID 121391030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121391030 — identifiers, structure, computed properties (public domain)

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