N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide

C23H27FN4O3 — CID 60610195

IUPACN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCCN(CC)CCOc1cc(NC(=O)c2ccn(-c3ccccc3F)n2)ccc1OC
InChIInChI=1S/C23H27FN4O3/c1-4-27(5-2)14-15-31-22-16-17(10-11-21(22)30-3)25-23(29)19-12-13-28(26-19)20-9-7-6-8-18(20)24/h6-13,16H,4-5,14-15H2,1-3H3,(H,25,29)
InChIKeyFGBHYZYLMKHERK-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.99
Rot. Bonds10

About N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 60610195) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
PubChem CID60610195
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC NameN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCCN(CC)CCOc1cc(NC(=O)c2ccn(-c3ccccc3F)n2)ccc1OC
InChIInChI=1S/C23H27FN4O3/c1-4-27(5-2)14-15-31-22-16-17(10-11-21(22)30-3)25-23(29)19-12-13-28(26-19)20-9-7-6-8-18(20)24/h6-13,16H,4-5,14-15H2,1-3H3,(H,25,29)
InChIKeyFGBHYZYLMKHERK-UHFFFAOYSA-N
XLogP3.99
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 47089567
N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 39908296
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 78868746
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]thiophene-2-carboxamide
CID 22459278
1-(2-fluorophenyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pyrazole-3-carboxamide
CID 99586713
1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide
CID 110910871
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide
CID 22459383
1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide
CID 55649566
1-(2-fluorophenyl)-N-(2-methyl-1H-indol-5-yl)pyrazole-3-carboxamide
CID 78866415
1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
CID 86980706

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide (CID 60610195) is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide is CCN(CC)CCOc1cc(NC(=O)c2ccn(-c3ccccc3F)n2)ccc1OC.
What is the InChIKey of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is FGBHYZYLMKHERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-4-27(5-2)14-15-31-22-16-17(10-11-21(22)30-3)25-23(29)19-12-13-28(26-19)20-9-7-6-8-18(20)24/h6-13,16H,4-5,14-15H2,1-3H3,(H,25,29).
What are the key properties of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide?
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 60610195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).