N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide

C13H18N4O — CID 60709599

IUPACN-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2(C#N)CCCCC2)cnn1C
InChIInChI=1S/C13H18N4O/c1-10-11(8-15-17(10)2)12(18)16-13(9-14)6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H,16,18)
InChIKeyVUWFZDFWXHYYJJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.68
Rot. Bonds2

About N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide

N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 60709599) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID60709599
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2(C#N)CCCCC2)cnn1C
InChIInChI=1S/C13H18N4O/c1-10-11(8-15-17(10)2)12(18)16-13(9-14)6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H,16,18)
InChIKeyVUWFZDFWXHYYJJ-UHFFFAOYSA-N
XLogP1.68
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117754
N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114300573
N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61120127
N-(1-cyanocyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117747
4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide
CID 103893850
N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 113347472
N-(1-cyanocyclopentyl)-2-methylfuran-3-carboxamide
CID 60704628
N-(1-cyanocyclohexyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78887415
N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
CID 62514137
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide
CID 112705399
2-amino-N-(1-cyanocyclohexyl)benzamide
CID 110474346

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide (CID 60709599) is N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NC2(C#N)CCCCC2)cnn1C.
What is the InChIKey of N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is VUWFZDFWXHYYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-11(8-15-17(10)2)12(18)16-13(9-14)6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H,16,18).
What are the key properties of N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 60709599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).