[3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate

C15H25N3O2 — CID 176898667

IUPAC[3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate
SMILESCCNC(=O)OC1CCC(c2ccn(C(C)(C)C)n2)C1
InChIInChI=1S/C15H25N3O2/c1-5-16-14(19)20-12-7-6-11(10-12)13-8-9-18(17-13)15(2,3)4/h8-9,11-12H,5-7,10H2,1-4H3,(H,16,19)
InChIKeyCJQRCKRRSALVIP-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.02
Rot. Bonds3

About [3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate

[3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate (PubChem CID 176898667) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate.

Molecular Properties

Compound Name[3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate
PubChem CID176898667
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate
SMILESCCNC(=O)OC1CCC(c2ccn(C(C)(C)C)n2)C1
InChIInChI=1S/C15H25N3O2/c1-5-16-14(19)20-12-7-6-11(10-12)13-8-9-18(17-13)15(2,3)4/h8-9,11-12H,5-7,10H2,1-4H3,(H,16,19)
InChIKeyCJQRCKRRSALVIP-UHFFFAOYSA-N
XLogP3.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate 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 [3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate?
The IUPAC name of [3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate (CID 176898667) is [3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate.
What is the SMILES notation for [3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate?
The canonical SMILES for [3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate is CCNC(=O)OC1CCC(c2ccn(C(C)(C)C)n2)C1.
What is the InChIKey of [3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate?
The InChIKey is CJQRCKRRSALVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-16-14(19)20-12-7-6-11(10-12)13-8-9-18(17-13)15(2,3)4/h8-9,11-12H,5-7,10H2,1-4H3,(H,16,19).
What are the key properties of [3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate?
[3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate has a molecular weight of 279.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-tert-butylpyrazol-3-yl)cyclopentyl] N-ethylcarbamate is sourced from PubChem (CID 176898667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).