5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide

C18H22FN3O3 — CID 136565302

IUPAC5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCOCC1(NC(=O)c2cc(-c3ccc(F)cc3)n(C)n2)CCOCC1
InChIInChI=1S/C18H22FN3O3/c1-22-16(13-3-5-14(19)6-4-13)11-15(21-22)17(23)20-18(12-24-2)7-9-25-10-8-18/h3-6,11H,7-10,12H2,1-2H3,(H,20,23)
InChIKeyJXQKZLUBCHOHLD-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.15
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide

5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 136565302) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID136565302
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCOCC1(NC(=O)c2cc(-c3ccc(F)cc3)n(C)n2)CCOCC1
InChIInChI=1S/C18H22FN3O3/c1-22-16(13-3-5-14(19)6-4-13)11-15(21-22)17(23)20-18(12-24-2)7-9-25-10-8-18/h3-6,11H,7-10,12H2,1-2H3,(H,20,23)
InChIKeyJXQKZLUBCHOHLD-UHFFFAOYSA-N
XLogP2.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 46105017
N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
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N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103954300
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110615628
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110302080
N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299582
methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058142
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide
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N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide (CID 136565302) is 5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide is COCC1(NC(=O)c2cc(-c3ccc(F)cc3)n(C)n2)CCOCC1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is JXQKZLUBCHOHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-22-16(13-3-5-14(19)6-4-13)11-15(21-22)17(23)20-18(12-24-2)7-9-25-10-8-18/h3-6,11H,7-10,12H2,1-2H3,(H,20,23).
What are the key properties of 5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide?
5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136565302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).