5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide

C12H13FN4O2 — CID 170509919

IUPAC5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1Nc1cc(F)ccc1OC
InChIInChI=1S/C12H13FN4O2/c1-14-12(18)8-6-15-17-11(8)16-9-5-7(13)3-4-10(9)19-2/h3-6H,1-2H3,(H,14,18)(H2,15,16,17)
InChIKeyBLIKAKPLVCMYGX-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.66
Rot. Bonds4

About 5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide

5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 170509919) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID170509919
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1Nc1cc(F)ccc1OC
InChIInChI=1S/C12H13FN4O2/c1-14-12(18)8-6-15-17-11(8)16-9-5-7(13)3-4-10(9)19-2/h3-6H,1-2H3,(H,14,18)(H2,15,16,17)
InChIKeyBLIKAKPLVCMYGX-UHFFFAOYSA-N
XLogP1.66
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(4-fluorophenyl)-2-methoxyaniline
CID 82537214
(5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 82770548
2-[(4-fluorobenzoyl)amino]-4,5-dimethoxy-N-methylbenzamide
CID 34366934
1-[4-(5-fluoro-2-methoxyanilino)phenyl]ethanone
CID 82536658
2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933
N-(4-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109198963
N-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 82537505
2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82297374
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide
CID 156880977
5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824303
5-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 82537168

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide (CID 170509919) is 5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1Nc1cc(F)ccc1OC.
What is the InChIKey of 5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is BLIKAKPLVCMYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-14-12(18)8-6-15-17-11(8)16-9-5-7(13)3-4-10(9)19-2/h3-6H,1-2H3,(H,14,18)(H2,15,16,17).
What are the key properties of 5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide?
5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 264.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 170509919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).