5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide

C19H26ClN3O — CID 162673695

IUPAC5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)Nc2ccc(Cl)cc2)cc1C(C)(C)C
InChIInChI=1S/C19H26ClN3O/c1-5-6-7-12-23-17(19(2,3)4)13-16(22-23)18(24)21-15-10-8-14(20)9-11-15/h8-11,13H,5-7,12H2,1-4H3,(H,21,24)
InChIKeyNOTPEVXTTDTWFG-UHFFFAOYSA-N
MW347.89 g/mol
LogP5.28
Rot. Bonds6

About 5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide

5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide (PubChem CID 162673695) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is 5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide
PubChem CID162673695
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)Nc2ccc(Cl)cc2)cc1C(C)(C)C
InChIInChI=1S/C19H26ClN3O/c1-5-6-7-12-23-17(19(2,3)4)13-16(22-23)18(24)21-15-10-8-14(20)9-11-15/h8-11,13H,5-7,12H2,1-4H3,(H,21,24)
InChIKeyNOTPEVXTTDTWFG-UHFFFAOYSA-N
XLogP5.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.89
LogP ≤ 55.28
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-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide (CID 162673695) is 5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide is CCCCCn1nc(C(=O)Nc2ccc(Cl)cc2)cc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide?
The InChIKey is NOTPEVXTTDTWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-5-6-7-12-23-17(19(2,3)4)13-16(22-23)18(24)21-15-10-8-14(20)9-11-15/h8-11,13H,5-7,12H2,1-4H3,(H,21,24).
What are the key properties of 5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide?
5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide has a molecular weight of 347.89 g/mol, XLogP of 5.28, 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-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide is sourced from PubChem (CID 162673695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).