N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

C15H22N4O — CID 66119938

IUPACN-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C#N)C2CCCCC2)n(C)n1
InChIInChI=1S/C15H22N4O/c1-3-12-9-14(19(2)18-12)15(20)17-13(10-16)11-7-5-4-6-8-11/h9,11,13H,3-8H2,1-2H3,(H,17,20)
InChIKeyHMLWBGNPTDYCBE-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.18
Rot. Bonds4

About N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66119938) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66119938
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C#N)C2CCCCC2)n(C)n1
InChIInChI=1S/C15H22N4O/c1-3-12-9-14(19(2)18-12)15(20)17-13(10-16)11-7-5-4-6-8-11/h9,11,13H,3-8H2,1-2H3,(H,17,20)
InChIKeyHMLWBGNPTDYCBE-UHFFFAOYSA-N
XLogP2.18
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66119938) is N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC(C#N)C2CCCCC2)n(C)n1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is HMLWBGNPTDYCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-12-9-14(19(2)18-12)15(20)17-13(10-16)11-7-5-4-6-8-11/h9,11,13H,3-8H2,1-2H3,(H,17,20).
What are the key properties of N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66119938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).