N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide

C18H22FN3O — CID 38701604

IUPACN-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(NC1CCCCCCC1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H22FN3O/c19-14-8-10-16(11-9-14)22-13-12-17(21-22)18(23)20-15-6-4-2-1-3-5-7-15/h8-13,15H,1-7H2,(H,20,23)
InChIKeyWAFJPSQRLAKRTJ-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.85
Rot. Bonds3

About N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 38701604) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID38701604
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(NC1CCCCCCC1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H22FN3O/c19-14-8-10-16(11-9-14)22-13-12-17(21-22)18(23)20-15-6-4-2-1-3-5-7-15/h8-13,15H,1-7H2,(H,20,23)
InChIKeyWAFJPSQRLAKRTJ-UHFFFAOYSA-N
XLogP3.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 38701604) is N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide is O=C(NC1CCCCCCC1)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is WAFJPSQRLAKRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c19-14-8-10-16(11-9-14)22-13-12-17(21-22)18(23)20-15-6-4-2-1-3-5-7-15/h8-13,15H,1-7H2,(H,20,23).
What are the key properties of N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 38701604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).