(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate

C13H15N5O3 — CID 53494451

IUPAC(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate
SMILESO=C(NC1CCCC1)Oc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C13H15N5O3/c19-11-10(21-13(20)16-9-4-1-2-5-9)8-14-12(17-11)18-7-3-6-15-18/h3,6-9H,1-2,4-5H2,(H,16,20)(H,14,17,19)
InChIKeyGADRKESUZZXEPQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.99
Rot. Bonds3

About (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate

(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate (PubChem CID 53494451) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate.

Molecular Properties

Compound Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate
PubChem CID53494451
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate
SMILESO=C(NC1CCCC1)Oc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C13H15N5O3/c19-11-10(21-13(20)16-9-4-1-2-5-9)8-14-12(17-11)18-7-3-6-15-18/h3,6-9H,1-2,4-5H2,(H,16,20)(H,14,17,19)
InChIKeyGADRKESUZZXEPQ-UHFFFAOYSA-N
XLogP0.99
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate?
The IUPAC name of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate (CID 53494451) is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate.
What is the SMILES notation for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate?
The canonical SMILES for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate is O=C(NC1CCCC1)Oc1cnc(-n2cccn2)[nH]c1=O.
What is the InChIKey of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate?
The InChIKey is GADRKESUZZXEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c19-11-10(21-13(20)16-9-4-1-2-5-9)8-14-12(17-11)18-7-3-6-15-18/h3,6-9H,1-2,4-5H2,(H,16,20)(H,14,17,19).
What are the key properties of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate?
(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate has a molecular weight of 289.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclopentylcarbamate is sourced from PubChem (CID 53494451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).