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

C16H28N4O2 — CID 154616815

IUPAC[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C16H28N4O2/c1-10(2)18-15(21)22-12-7-6-11(8-12)13-9-14(17)20(19-13)16(3,4)5/h9-12H,6-8,17H2,1-5H3,(H,18,21)/t11-,12+/m0/s1
InChIKeyPSXDPFYLOZFGAY-NWDGAFQWSA-N
MW308.43 g/mol
LogP2.99
Rot. Bonds3

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

[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 154616815) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate
PubChem CID154616815
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C16H28N4O2/c1-10(2)18-15(21)22-12-7-6-11(8-12)13-9-14(17)20(19-13)16(3,4)5/h9-12H,6-8,17H2,1-5H3,(H,18,21)/t11-,12+/m0/s1
InChIKeyPSXDPFYLOZFGAY-NWDGAFQWSA-N
XLogP2.99
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate
CID 154616768
[1-tert-butyl-3-[(1S,3R)-3-(4,4,4-trifluorobutan-2-ylcarbamoyloxy)cyclopentyl]pyrazol-5-yl]carbamic acid
CID 155025418
[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-(3,3,3-trifluoro-1-sulfanylpropyl)carbamate
CID 155040852
[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate
CID 156396691
[(1R,3S)-3-[3-[(1-methyl-6-oxopyridazin-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate
CID 168200159
[3-[3-[[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-fluoropropan-2-yl)carbamate
CID 168200226
but-1-yne;[3-[3-[2-[(Z)-1-cyanoprop-1-enyl]iminoethylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate
CID 168894859
[3-[3-[[(E)-1-[(Z)-1-cyanoprop-1-enyl]imino-3-methylpent-2-en-2-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(4,4,4-trifluorobutan-2-yl)carbamate
CID 168894910
[3-[3-[[(E)-1-[(Z)-1-cyanoprop-1-enyl]imino-3-methylpent-2-en-2-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-fluoropropan-2-yl)carbamate
CID 168894920
[(1S,2S,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169140996
trans-(2S,4S)-4-[1-tert-butyl-5-(pentan-3-ylamino)pyrazol-3-yl]-2-fluorocyclopentan-1-ol
CID 169141500
[(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142633

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate (CID 154616815) is [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate is CC(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-propan-2-ylcarbamate?
The InChIKey is PSXDPFYLOZFGAY-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-10(2)18-15(21)22-12-7-6-11(8-12)13-9-14(17)20(19-13)16(3,4)5/h9-12H,6-8,17H2,1-5H3,(H,18,21)/t11-,12+/m0/s1.
What are the key properties of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate?
[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 308.43 g/mol, XLogP of 2.99, 3 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-propan-2-ylcarbamate is sourced from PubChem (CID 154616815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).