HURBBKYLSNLNLK-UHFFFAOYSA-N

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

C₁₉H₃₁F₂N₅O₂ — CID 146598793

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

IUPACtert-butyl 4-[2-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]ethyl]piperidine-1-carboxylate

SMILESCC(C)(C)OC(=O)N1CCC(CCN2CC(n3cc(N)c(C(F)F)n3)C2)CC1

InChIInChI=1S/C19H31F2N5O2/c1-19(2,3)28-18(27)25-8-5-13(6-9-25)4-7-24-10-14(11-24)26-12-15(22)16(23-26)17(20)21/h12-14,17H,4-11,22H2,1-3H3

InChIKeyHURBBKYLSNLNLK-UHFFFAOYSA-N

MW399.49 g/mol

LogP3.30

Rot. Bonds5

About HURBBKYLSNLNLK-UHFFFAOYSA-N

HURBBKYLSNLNLK-UHFFFAOYSA-N (PubChem CID 146598793) has the molecular formula C₁₉H₃₁F₂N₅O₂ and a molecular weight of 399.49 g/mol. Its IUPAC name is tert-butyl 4-[2-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name	HURBBKYLSNLNLK-UHFFFAOYSA-N
PubChem CID	146598793
Molecular Formula	C₁₉H₃₁F₂N₅O₂
Molecular Weight	399.49 g/mol
Exact Mass	399.24
IUPAC Name	tert-butyl 4-[2-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]ethyl]piperidine-1-carboxylate
SMILES	CC(C)(C)OC(=O)N1CCC(CCN2CC(n3cc(N)c(C(F)F)n3)C2)CC1
InChI	InChI=1S/C19H31F2N5O2/c1-19(2,3)28-18(27)25-8-5-13(6-9-25)4-7-24-10-14(11-24)26-12-15(22)16(23-26)17(20)21/h12-14,17H,4-11,22H2,1-3H3
InChIKey	HURBBKYLSNLNLK-UHFFFAOYSA-N
XLogP	3.30
TPSA	76.62 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.49
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of HURBBKYLSNLNLK-UHFFFAOYSA-N (CID 146598793) is tert-butyl 4-[2-[3-[4-amino-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]ethyl]piperidine-1-carboxylate.

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

The canonical SMILES for HURBBKYLSNLNLK-UHFFFAOYSA-N is CC(C)(C)OC(=O)N1CCC(CCN2CC(n3cc(N)c(C(F)F)n3)C2)CC1.

What is the InChIKey of HURBBKYLSNLNLK-UHFFFAOYSA-N?

The InChIKey is HURBBKYLSNLNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F2N5O2/c1-19(2,3)28-18(27)25-8-5-13(6-9-25)4-7-24-10-14(11-24)26-12-15(22)16(23-26)17(20)21/h12-14,17H,4-11,22H2,1-3H3.

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

HURBBKYLSNLNLK-UHFFFAOYSA-N has a molecular weight of 399.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for HURBBKYLSNLNLK-UHFFFAOYSA-N is sourced from PubChem (CID 146598793), 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 146598793 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.