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

C14H17N5O3 — CID 53494450

IUPAC(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C14H17N5O3/c20-12-11(9-15-13(18-12)19-8-4-7-16-19)22-14(21)17-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,17,21)(H,15,18,20)
InChIKeyYHIWDAGSYVMHMY-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.38
Rot. Bonds3

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

(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclohexylcarbamate (PubChem CID 53494450) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclohexylcarbamate
PubChem CID53494450
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C14H17N5O3/c20-12-11(9-15-13(18-12)19-8-4-7-16-19)22-14(21)17-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,17,21)(H,15,18,20)
InChIKeyYHIWDAGSYVMHMY-UHFFFAOYSA-N
XLogP1.38
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.38
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-cyclohexylcarbamate?
The IUPAC name of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclohexylcarbamate (CID 53494450) is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclohexylcarbamate.
What is the SMILES notation for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclohexylcarbamate?
The canonical SMILES for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1cnc(-n2cccn2)[nH]c1=O.
What is the InChIKey of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclohexylcarbamate?
The InChIKey is YHIWDAGSYVMHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c20-12-11(9-15-13(18-12)19-8-4-7-16-19)22-14(21)17-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,17,21)(H,15,18,20).
What are the key properties of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclohexylcarbamate?
(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-cyclohexylcarbamate has a molecular weight of 303.32 g/mol, XLogP of 1.38, 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-cyclohexylcarbamate is sourced from PubChem (CID 53494450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).