1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide

C17H22FN3O2 — CID 111662239

IUPAC1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3O2/c1-2-3-13(9-11-22)12-19-17(23)16-8-10-21(20-16)15-6-4-14(18)5-7-15/h4-8,10,13,22H,2-3,9,11-12H2,1H3,(H,19,23)
InChIKeyRYIOYGVFGYKIHL-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.54
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide (PubChem CID 111662239) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide
PubChem CID111662239
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3O2/c1-2-3-13(9-11-22)12-19-17(23)16-8-10-21(20-16)15-6-4-14(18)5-7-15/h4-8,10,13,22H,2-3,9,11-12H2,1H3,(H,19,23)
InChIKeyRYIOYGVFGYKIHL-UHFFFAOYSA-N
XLogP2.54
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide (CID 111662239) is 1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide is CCCC(CCO)CNC(=O)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide?
The InChIKey is RYIOYGVFGYKIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-2-3-13(9-11-22)12-19-17(23)16-8-10-21(20-16)15-6-4-14(18)5-7-15/h4-8,10,13,22H,2-3,9,11-12H2,1H3,(H,19,23).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide is sourced from PubChem (CID 111662239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).