[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate

C13H21FN4O2 — CID 170075167

IUPAC[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate
SMILESCC(F)C(C)NC(=O)O[C@@H]1CC[C@H](c2cc(N)n[nH]2)C1
InChIInChI=1S/C13H21FN4O2/c1-7(14)8(2)16-13(19)20-10-4-3-9(5-10)11-6-12(15)18-17-11/h6-10H,3-5H2,1-2H3,(H,16,19)(H3,15,17,18)/t7?,8?,9-,10+/m0/s1
InChIKeyHGZZELLRDGMQEO-HORUIINNSA-N
MW284.34 g/mol
LogP2.10
Rot. Bonds4

About [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate

[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate (PubChem CID 170075167) has the molecular formula C13H21FN4O2 and a molecular weight of 284.34 g/mol. Its IUPAC name is [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate
PubChem CID170075167
Molecular FormulaC13H21FN4O2
Molecular Weight284.34 g/mol
Exact Mass284.16
IUPAC Name[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate
SMILESCC(F)C(C)NC(=O)O[C@@H]1CC[C@H](c2cc(N)n[nH]2)C1
InChIInChI=1S/C13H21FN4O2/c1-7(14)8(2)16-13(19)20-10-4-3-9(5-10)11-6-12(15)18-17-11/h6-10H,3-5H2,1-2H3,(H,16,19)(H3,15,17,18)/t7?,8?,9-,10+/m0/s1
InChIKeyHGZZELLRDGMQEO-HORUIINNSA-N
XLogP2.10
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate
CID 154616608
[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate
CID 170612441
[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate
CID 175972510
[3-[3-(4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176874944
[(1S,3R)-3-[3-[(5-dimethylphosphoryl-2-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076434
[3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076305
[(1S,3R)-3-[3-[(6-fluoro-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176714713
[(1R,3S)-3-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167145746
[3-[3-[(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076440
[(1S,3R)-3-[3-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176714690
[(1R,3S)-3-[3-[(6-isocyano-3-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176874992
[3-[3-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176874997

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate?
The IUPAC name of [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate (CID 170075167) is [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate.
What is the SMILES notation for [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate?
The canonical SMILES for [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate is CC(F)C(C)NC(=O)O[C@@H]1CC[C@H](c2cc(N)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate?
The InChIKey is HGZZELLRDGMQEO-HORUIINNSA-N. The full InChI is InChI=1S/C13H21FN4O2/c1-7(14)8(2)16-13(19)20-10-4-3-9(5-10)11-6-12(15)18-17-11/h6-10H,3-5H2,1-2H3,(H,16,19)(H3,15,17,18)/t7?,8?,9-,10+/m0/s1.
What are the key properties of [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate?
[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate has a molecular weight of 284.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate is sourced from PubChem (CID 170075167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).