1-(2-cyanocyclohexyl)pyrazole-4-carboxamide

C11H14N4O — CID 81252559

IUPAC1-(2-cyanocyclohexyl)pyrazole-4-carboxamide
SMILESN#CC1CCCCC1n1cc(C(N)=O)cn1
InChIInChI=1S/C11H14N4O/c12-5-8-3-1-2-4-10(8)15-7-9(6-14-15)11(13)16/h6-8,10H,1-4H2,(H2,13,16)
InChIKeyMHILCJFIGPDNFI-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.24
Rot. Bonds2

About 1-(2-cyanocyclohexyl)pyrazole-4-carboxamide

1-(2-cyanocyclohexyl)pyrazole-4-carboxamide (PubChem CID 81252559) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2-cyanocyclohexyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanocyclohexyl)pyrazole-4-carboxamide
PubChem CID81252559
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(2-cyanocyclohexyl)pyrazole-4-carboxamide
SMILESN#CC1CCCCC1n1cc(C(N)=O)cn1
InChIInChI=1S/C11H14N4O/c12-5-8-3-1-2-4-10(8)15-7-9(6-14-15)11(13)16/h6-8,10H,1-4H2,(H2,13,16)
InChIKeyMHILCJFIGPDNFI-UHFFFAOYSA-N
XLogP1.24
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanocyclohexyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyanocyclohexyl)pyrazole-4-carboxamide (CID 81252559) is 1-(2-cyanocyclohexyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyanocyclohexyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyanocyclohexyl)pyrazole-4-carboxamide is N#CC1CCCCC1n1cc(C(N)=O)cn1.
What is the InChIKey of 1-(2-cyanocyclohexyl)pyrazole-4-carboxamide?
The InChIKey is MHILCJFIGPDNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-5-8-3-1-2-4-10(8)15-7-9(6-14-15)11(13)16/h6-8,10H,1-4H2,(H2,13,16).
What are the key properties of 1-(2-cyanocyclohexyl)pyrazole-4-carboxamide?
1-(2-cyanocyclohexyl)pyrazole-4-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanocyclohexyl)pyrazole-4-carboxamide is sourced from PubChem (CID 81252559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).