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

C16H28N4O2 — CID 154616609

IUPAC[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@@H]1CC[C@H](c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C16H28N4O2/c1-5-8-18-15(21)22-12-7-6-11(9-12)13-10-14(17)20(19-13)16(2,3)4/h10-12H,5-9,17H2,1-4H3,(H,18,21)/t11-,12+/m0/s1
InChIKeyNYNKIXRMRATKRT-NWDGAFQWSA-N
MW308.43 g/mol
LogP2.99
Rot. Bonds4

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

[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate (PubChem CID 154616609) 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-propylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate
PubChem CID154616609
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@@H]1CC[C@H](c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C16H28N4O2/c1-5-8-18-15(21)22-12-7-6-11(9-12)13-10-14(17)20(19-13)16(2,3)4/h10-12H,5-9,17H2,1-4H3,(H,18,21)/t11-,12+/m0/s1
InChIKeyNYNKIXRMRATKRT-NWDGAFQWSA-N
XLogP2.99
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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
[(1R,3S)-3-[3-[(1-methyl-6-oxopyridazin-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1,1-difluoro-2-methylpropan-2-yl)carbamate
CID 168200236
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-[1-(2,2,2-trifluoroethyl)cyclopropyl]carbamate
CID 168894884
[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

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate?
The IUPAC name of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate (CID 154616609) is [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate.
What is the SMILES notation for [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate?
The canonical SMILES for [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate is CCCNC(=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-propylcarbamate?
The InChIKey is NYNKIXRMRATKRT-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-8-18-15(21)22-12-7-6-11(9-12)13-10-14(17)20(19-13)16(2,3)4/h10-12H,5-9,17H2,1-4H3,(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-propylcarbamate?
[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate has a molecular weight of 308.43 g/mol, XLogP of 2.99, 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-propylcarbamate is sourced from PubChem (CID 154616609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).