N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide

C20H31N3O2 — CID 75366196

IUPACN-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide
SMILESCc1nn(C(=O)C2CCCCC2)c(C)c1CNC(=O)C1CCCCC1
InChIInChI=1S/C20H31N3O2/c1-14-18(13-21-19(24)16-9-5-3-6-10-16)15(2)23(22-14)20(25)17-11-7-4-8-12-17/h16-17H,3-13H2,1-2H3,(H,21,24)
InChIKeyQFXSAFNFFLERQS-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.92
Rot. Bonds4

About N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide

N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide (PubChem CID 75366196) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide
PubChem CID75366196
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide
SMILESCc1nn(C(=O)C2CCCCC2)c(C)c1CNC(=O)C1CCCCC1
InChIInChI=1S/C20H31N3O2/c1-14-18(13-21-19(24)16-9-5-3-6-10-16)15(2)23(22-14)20(25)17-11-7-4-8-12-17/h16-17H,3-13H2,1-2H3,(H,21,24)
InChIKeyQFXSAFNFFLERQS-UHFFFAOYSA-N
XLogP3.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide (CID 75366196) is N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide is Cc1nn(C(=O)C2CCCCC2)c(C)c1CNC(=O)C1CCCCC1.
What is the InChIKey of N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide?
The InChIKey is QFXSAFNFFLERQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14-18(13-21-19(24)16-9-5-3-6-10-16)15(2)23(22-14)20(25)17-11-7-4-8-12-17/h16-17H,3-13H2,1-2H3,(H,21,24).
What are the key properties of N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide?
N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 75366196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).