5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide

C18H26N4O — CID 162668719

IUPAC5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)Nc2ccncc2)cc1C(C)(C)C
InChIInChI=1S/C18H26N4O/c1-5-6-7-12-22-16(18(2,3)4)13-15(21-22)17(23)20-14-8-10-19-11-9-14/h8-11,13H,5-7,12H2,1-4H3,(H,19,20,23)
InChIKeyQMUWJTZYCLSUIH-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.02
Rot. Bonds6

About 5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide

5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 162668719) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID162668719
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)Nc2ccncc2)cc1C(C)(C)C
InChIInChI=1S/C18H26N4O/c1-5-6-7-12-22-16(18(2,3)4)13-15(21-22)17(23)20-14-8-10-19-11-9-14/h8-11,13H,5-7,12H2,1-4H3,(H,19,20,23)
InChIKeyQMUWJTZYCLSUIH-UHFFFAOYSA-N
XLogP4.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide (CID 162668719) is 5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide is CCCCCn1nc(C(=O)Nc2ccncc2)cc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is QMUWJTZYCLSUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-5-6-7-12-22-16(18(2,3)4)13-15(21-22)17(23)20-14-8-10-19-11-9-14/h8-11,13H,5-7,12H2,1-4H3,(H,19,20,23).
What are the key properties of 5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide?
5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-pentyl-N-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 162668719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).