SYAZCJJGWHUJNE-NOYMGPGASA-N

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

C₂₁H₃₀F₃N₇O₃ — CID 154616811

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

IUPAC[(1R,3S)-3-[3-[[2-[2-(dimethylamino)ethyl]pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate

SMILESCC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3ccnn3CCN(C)C)n[nH]2)C1

InChIInChI=1S/C21H30F3N7O3/c1-13(12-21(22,23)24)26-20(33)34-15-5-4-14(10-15)16-11-18(29-28-16)27-19(32)17-6-7-25-31(17)9-8-30(2)3/h6-7,11,13-15H,4-5,8-10,12H2,1-3H3,(H,26,33)(H2,27,28,29,32)/t13?,14-,15+/m0/s1

InChIKeySYAZCJJGWHUJNE-NOYMGPGASA-N

MW485.51 g/mol

LogP3.12

Rot. Bonds9

About SYAZCJJGWHUJNE-NOYMGPGASA-N

SYAZCJJGWHUJNE-NOYMGPGASA-N (PubChem CID 154616811) has the molecular formula C₂₁H₃₀F₃N₇O₃ and a molecular weight of 485.51 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-[2-(dimethylamino)ethyl]pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate.

Molecular Properties

Compound Name	SYAZCJJGWHUJNE-NOYMGPGASA-N
PubChem CID	154616811
Molecular Formula	C₂₁H₃₀F₃N₇O₃
Molecular Weight	485.51 g/mol
Exact Mass	485.24
IUPAC Name	[(1R,3S)-3-[3-[[2-[2-(dimethylamino)ethyl]pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate
SMILES	CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3ccnn3CCN(C)C)n[nH]2)C1
InChI	InChI=1S/C21H30F3N7O3/c1-13(12-21(22,23)24)26-20(33)34-15-5-4-14(10-15)16-11-18(29-28-16)27-19(32)17-6-7-25-31(17)9-8-30(2)3/h6-7,11,13-15H,4-5,8-10,12H2,1-3H3,(H,26,33)(H2,27,28,29,32)/t13?,14-,15+/m0/s1
InChIKey	SYAZCJJGWHUJNE-NOYMGPGASA-N
XLogP	3.12
TPSA	117.17 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.51
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of SYAZCJJGWHUJNE-NOYMGPGASA-N?

The IUPAC name of SYAZCJJGWHUJNE-NOYMGPGASA-N (CID 154616811) is [(1R,3S)-3-[3-[[2-[2-(dimethylamino)ethyl]pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate.

What is the SMILES notation for SYAZCJJGWHUJNE-NOYMGPGASA-N?

The canonical SMILES for SYAZCJJGWHUJNE-NOYMGPGASA-N is CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3ccnn3CCN(C)C)n[nH]2)C1.

What is the InChIKey of SYAZCJJGWHUJNE-NOYMGPGASA-N?

The InChIKey is SYAZCJJGWHUJNE-NOYMGPGASA-N. The full InChI is InChI=1S/C21H30F3N7O3/c1-13(12-21(22,23)24)26-20(33)34-15-5-4-14(10-15)16-11-18(29-28-16)27-19(32)17-6-7-25-31(17)9-8-30(2)3/h6-7,11,13-15H,4-5,8-10,12H2,1-3H3,(H,26,33)(H2,27,28,29,32)/t13?,14-,15+/m0/s1.

What are the key properties of SYAZCJJGWHUJNE-NOYMGPGASA-N?

SYAZCJJGWHUJNE-NOYMGPGASA-N has a molecular weight of 485.51 g/mol, XLogP of 3.12, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for SYAZCJJGWHUJNE-NOYMGPGASA-N is sourced from PubChem (CID 154616811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154616811 — identifiers, structure, computed properties (public domain)

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