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

C16H27N3O2 — CID 172829472

IUPAC[(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@@H]1CC[C@H](c2ccn(C(C)(C)C)n2)C1
InChIInChI=1S/C16H27N3O2/c1-5-9-17-15(20)21-13-7-6-12(11-13)14-8-10-19(18-14)16(2,3)4/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,17,20)/t12-,13+/m0/s1
InChIKeyVIAZDNOUWKHZJE-QWHCGFSZSA-N
MW293.41 g/mol
LogP3.41
Rot. Bonds4

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

[(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate (PubChem CID 172829472) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate
PubChem CID172829472
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name[(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@@H]1CC[C@H](c2ccn(C(C)(C)C)n2)C1
InChIInChI=1S/C16H27N3O2/c1-5-9-17-15(20)21-13-7-6-12(11-13)14-8-10-19(18-14)16(2,3)4/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,17,20)/t12-,13+/m0/s1
InChIKeyVIAZDNOUWKHZJE-QWHCGFSZSA-N
XLogP3.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate?
The IUPAC name of [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate (CID 172829472) is [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate.
What is the SMILES notation for [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate?
The canonical SMILES for [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate is CCCNC(=O)O[C@@H]1CC[C@H](c2ccn(C(C)(C)C)n2)C1.
What is the InChIKey of [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate?
The InChIKey is VIAZDNOUWKHZJE-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-9-17-15(20)21-13-7-6-12(11-13)14-8-10-19(18-14)16(2,3)4/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,17,20)/t12-,13+/m0/s1.
What are the key properties of [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate?
[(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate has a molecular weight of 293.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propylcarbamate is sourced from PubChem (CID 172829472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).