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

C15H26N4O2 — CID 154616892

IUPAC[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate
SMILESCCNC(=O)O[C@@H]1CC[C@H](c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C15H26N4O2/c1-5-17-14(20)21-11-7-6-10(8-11)12-9-13(16)19(18-12)15(2,3)4/h9-11H,5-8,16H2,1-4H3,(H,17,20)/t10-,11+/m0/s1
InChIKeyIRQKRPXADWPEGR-WDEREUQCSA-N
MW294.40 g/mol
LogP2.60
Rot. Bonds3

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

[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate (PubChem CID 154616892) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate
PubChem CID154616892
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate
SMILESCCNC(=O)O[C@@H]1CC[C@H](c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C15H26N4O2/c1-5-17-14(20)21-11-7-6-10(8-11)12-9-13(16)19(18-12)15(2,3)4/h9-11H,5-8,16H2,1-4H3,(H,17,20)/t10-,11+/m0/s1
InChIKeyIRQKRPXADWPEGR-WDEREUQCSA-N
XLogP2.60
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.60
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
[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
[(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169143153

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate?
The IUPAC name of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate (CID 154616892) is [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate.
What is the SMILES notation for [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate?
The canonical SMILES for [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate is CCNC(=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-ethylcarbamate?
The InChIKey is IRQKRPXADWPEGR-WDEREUQCSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-17-14(20)21-11-7-6-10(8-11)12-9-13(16)19(18-12)15(2,3)4/h9-11H,5-8,16H2,1-4H3,(H,17,20)/t10-,11+/m0/s1.
What are the key properties of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate?
[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate has a molecular weight of 294.40 g/mol, XLogP of 2.60, 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-ethylcarbamate is sourced from PubChem (CID 154616892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).