[(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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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).