1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide

C20H28FN3O2 — CID 177375928

IUPAC1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide
SMILESCCCCCCCCCCn1nc(C(=O)NO)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H28FN3O2/c1-2-3-4-5-6-7-8-9-14-24-19(15-18(22-24)20(25)23-26)16-10-12-17(21)13-11-16/h10-13,15,26H,2-9,14H2,1H3,(H,23,25)
InChIKeyGDPJTYAWVACRLF-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.95
Rot. Bonds11

About 1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide

1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide (PubChem CID 177375928) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide.

Molecular Properties

Compound Name1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide
PubChem CID177375928
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide
SMILESCCCCCCCCCCn1nc(C(=O)NO)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H28FN3O2/c1-2-3-4-5-6-7-8-9-14-24-19(15-18(22-24)20(25)23-26)16-10-12-17(21)13-11-16/h10-13,15,26H,2-9,14H2,1H3,(H,23,25)
InChIKeyGDPJTYAWVACRLF-UHFFFAOYSA-N
XLogP4.95
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide?
The IUPAC name of 1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide (CID 177375928) is 1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide.
What is the SMILES notation for 1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide?
The canonical SMILES for 1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide is CCCCCCCCCCn1nc(C(=O)NO)cc1-c1ccc(F)cc1.
What is the InChIKey of 1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide?
The InChIKey is GDPJTYAWVACRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-2-3-4-5-6-7-8-9-14-24-19(15-18(22-24)20(25)23-26)16-10-12-17(21)13-11-16/h10-13,15,26H,2-9,14H2,1H3,(H,23,25).
What are the key properties of 1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide?
1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide has a molecular weight of 361.46 g/mol, XLogP of 4.95, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide is sourced from PubChem (CID 177375928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).