2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile

C10H13N3O — CID 83877794

IUPAC2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile
SMILESN#Cc1cc(=O)n(C2CCCCC2)[nH]1
InChIInChI=1S/C10H13N3O/c11-7-8-6-10(14)13(12-8)9-4-2-1-3-5-9/h6,9,12H,1-5H2
InChIKeyPNCVRDKFVDDRNR-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.55
Rot. Bonds1

About 2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile

2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile (PubChem CID 83877794) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile
PubChem CID83877794
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile
SMILESN#Cc1cc(=O)n(C2CCCCC2)[nH]1
InChIInChI=1S/C10H13N3O/c11-7-8-6-10(14)13(12-8)9-4-2-1-3-5-9/h6,9,12H,1-5H2
InChIKeyPNCVRDKFVDDRNR-UHFFFAOYSA-N
XLogP1.55
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile?
The IUPAC name of 2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile (CID 83877794) is 2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile is N#Cc1cc(=O)n(C2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile?
The InChIKey is PNCVRDKFVDDRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-7-8-6-10(14)13(12-8)9-4-2-1-3-5-9/h6,9,12H,1-5H2.
What are the key properties of 2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile?
2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-oxo-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 83877794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).