5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide

C19H33N3O — CID 162677250

IUPAC5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC2CCCCC2)cc1C(C)(C)C
InChIInChI=1S/C19H33N3O/c1-5-6-10-13-22-17(19(2,3)4)14-16(21-22)18(23)20-15-11-8-7-9-12-15/h14-15H,5-13H2,1-4H3,(H,20,23)
InChIKeyZXWIZSAKLVSSER-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.43
Rot. Bonds6

About 5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide

5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide (PubChem CID 162677250) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide
PubChem CID162677250
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC2CCCCC2)cc1C(C)(C)C
InChIInChI=1S/C19H33N3O/c1-5-6-10-13-22-17(19(2,3)4)14-16(21-22)18(23)20-15-11-8-7-9-12-15/h14-15H,5-13H2,1-4H3,(H,20,23)
InChIKeyZXWIZSAKLVSSER-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide (CID 162677250) is 5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide is CCCCCn1nc(C(=O)NC2CCCCC2)cc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide?
The InChIKey is ZXWIZSAKLVSSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-5-6-10-13-22-17(19(2,3)4)14-16(21-22)18(23)20-15-11-8-7-9-12-15/h14-15H,5-13H2,1-4H3,(H,20,23).
What are the key properties of 5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide?
5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide has a molecular weight of 319.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide is sourced from PubChem (CID 162677250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).