tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate

C14H23N3O2 — CID 75505809

IUPACtert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnn(C2CCCC2)c1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)15-8-11-9-16-17(10-11)12-6-4-5-7-12/h9-10,12H,4-8H2,1-3H3,(H,15,18)
InChIKeyXGTVIFORVPITDU-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate

tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate (PubChem CID 75505809) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate
PubChem CID75505809
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnn(C2CCCC2)c1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)15-8-11-9-16-17(10-11)12-6-4-5-7-12/h9-10,12H,4-8H2,1-3H3,(H,15,18)
InChIKeyXGTVIFORVPITDU-UHFFFAOYSA-N
XLogP3.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate (CID 75505809) is tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cnn(C2CCCC2)c1.
What is the InChIKey of tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate?
The InChIKey is XGTVIFORVPITDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)15-8-11-9-16-17(10-11)12-6-4-5-7-12/h9-10,12H,4-8H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate?
tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate has a molecular weight of 265.36 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 tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate is sourced from PubChem (CID 75505809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).