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

C16H27N3O2 — CID 171475012

IUPAC[(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2ccn(C(C)(C)C)n2)C1
InChIInChI=1S/C16H27N3O2/c1-11(2)17-15(20)21-13-7-6-12(10-13)14-8-9-19(18-14)16(3,4)5/h8-9,11-13H,6-7,10H2,1-5H3,(H,17,20)/t12-,13+/m0/s1
InChIKeyFKYHMIKAKQFGNG-QWHCGFSZSA-N
MW293.41 g/mol
LogP3.41
Rot. Bonds3

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

[(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 171475012) 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-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate
PubChem CID171475012
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name[(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2ccn(C(C)(C)C)n2)C1
InChIInChI=1S/C16H27N3O2/c1-11(2)17-15(20)21-13-7-6-12(10-13)14-8-9-19(18-14)16(3,4)5/h8-9,11-13H,6-7,10H2,1-5H3,(H,17,20)/t12-,13+/m0/s1
InChIKeyFKYHMIKAKQFGNG-QWHCGFSZSA-N
XLogP3.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate (CID 171475012) is [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=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-propan-2-ylcarbamate?
The InChIKey is FKYHMIKAKQFGNG-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)17-15(20)21-13-7-6-12(10-13)14-8-9-19(18-14)16(3,4)5/h8-9,11-13H,6-7,10H2,1-5H3,(H,17,20)/t12-,13+/m0/s1.
What are the key properties of [(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate?
[(1R,3S)-3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 293.41 g/mol, XLogP of 3.41, 3 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-propan-2-ylcarbamate is sourced from PubChem (CID 171475012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).