1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide

C18H24FN3O2 — CID 110000266

IUPAC1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cc(C)n(-c2cccc(F)c2)n1
InChIInChI=1S/C18H24FN3O2/c1-3-5-14(8-9-23)12-20-18(24)17-10-13(2)22(21-17)16-7-4-6-15(19)11-16/h4,6-7,10-11,14,23H,3,5,8-9,12H2,1-2H3,(H,20,24)
InChIKeyIHGNLYBHJITZPT-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.85
Rot. Bonds8

About 1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide

1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide (PubChem CID 110000266) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide
PubChem CID110000266
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cc(C)n(-c2cccc(F)c2)n1
InChIInChI=1S/C18H24FN3O2/c1-3-5-14(8-9-23)12-20-18(24)17-10-13(2)22(21-17)16-7-4-6-15(19)11-16/h4,6-7,10-11,14,23H,3,5,8-9,12H2,1-2H3,(H,20,24)
InChIKeyIHGNLYBHJITZPT-UHFFFAOYSA-N
XLogP2.85
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
CID 110000140
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111662424
1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide
CID 111662239
N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 95782203
1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
CID 110001487
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide
CID 97338956
5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
CID 55756841
N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111447022
1-(3-methoxyphenyl)-5-methyl-N-propylpyrazole-3-carboxamide
CID 110373151
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111662305
2-bromo-6-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103747776

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide (CID 110000266) is 1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide is CCCC(CCO)CNC(=O)c1cc(C)n(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is IHGNLYBHJITZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-3-5-14(8-9-23)12-20-18(24)17-10-13(2)22(21-17)16-7-4-6-15(19)11-16/h4,6-7,10-11,14,23H,3,5,8-9,12H2,1-2H3,(H,20,24).
What are the key properties of 1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110000266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).