[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate

C17H30N4O2 — CID 154616674

IUPAC[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate
SMILESCC[C@H](C)NC(=O)O[C@@H]1CC[C@H](c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C17H30N4O2/c1-6-11(2)19-16(22)23-13-8-7-12(9-13)14-10-15(18)21(20-14)17(3,4)5/h10-13H,6-9,18H2,1-5H3,(H,19,22)/t11-,12-,13+/m0/s1
InChIKeyFWLUQNGWDOUOLH-RWMBFGLXSA-N
MW322.45 g/mol
LogP3.38
Rot. Bonds4

About [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate

[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate (PubChem CID 154616674) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate
PubChem CID154616674
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate
SMILESCC[C@H](C)NC(=O)O[C@@H]1CC[C@H](c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C17H30N4O2/c1-6-11(2)19-16(22)23-13-8-7-12(9-13)14-10-15(18)21(20-14)17(3,4)5/h10-13H,6-9,18H2,1-5H3,(H,19,22)/t11-,12-,13+/m0/s1
InChIKeyFWLUQNGWDOUOLH-RWMBFGLXSA-N
XLogP3.38
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
The IUPAC name of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate (CID 154616674) is [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate.
What is the SMILES notation for [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
The canonical SMILES for [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate is CC[C@H](C)NC(=O)O[C@@H]1CC[C@H](c2cc(N)n(C(C)(C)C)n2)C1.
What is the InChIKey of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
The InChIKey is FWLUQNGWDOUOLH-RWMBFGLXSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-6-11(2)19-16(22)23-13-8-7-12(9-13)14-10-15(18)21(20-14)17(3,4)5/h10-13H,6-9,18H2,1-5H3,(H,19,22)/t11-,12-,13+/m0/s1.
What are the key properties of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate?
[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate is sourced from PubChem (CID 154616674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).