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

C14H17N5O2 — CID 53494031

IUPACN-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cnc(-n2cccn2)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C14H17N5O2/c20-12(10-5-2-1-3-6-10)17-11-9-15-14(18-13(11)21)19-8-4-7-16-19/h4,7-10H,1-3,5-6H2,(H,17,20)(H,15,18,21)
InChIKeyVTQGITMMUDWSQX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.47
Rot. Bonds3

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

N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide (PubChem CID 53494031) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide
PubChem CID53494031
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cnc(-n2cccn2)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C14H17N5O2/c20-12(10-5-2-1-3-6-10)17-11-9-15-14(18-13(11)21)19-8-4-7-16-19/h4,7-10H,1-3,5-6H2,(H,17,20)(H,15,18,21)
InChIKeyVTQGITMMUDWSQX-UHFFFAOYSA-N
XLogP1.47
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide (CID 53494031) is N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide is O=C(Nc1cnc(-n2cccn2)[nH]c1=O)C1CCCCC1.
What is the InChIKey of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide?
The InChIKey is VTQGITMMUDWSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-12(10-5-2-1-3-6-10)17-11-9-15-14(18-13(11)21)19-8-4-7-16-19/h4,7-10H,1-3,5-6H2,(H,17,20)(H,15,18,21).
What are the key properties of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide?
N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 53494031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).