1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide

C12H13FN4O2 — CID 107259743

IUPAC1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2cc(OC)c(N)cc2F)n1
InChIInChI=1S/C12H13FN4O2/c1-15-12(18)9-3-4-17(16-9)10-6-11(19-2)8(14)5-7(10)13/h3-6H,14H2,1-2H3,(H,15,18)
InChIKeyRQBIZQRWSLFDOZ-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.96
Rot. Bonds3

About 1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide

1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 107259743) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide
PubChem CID107259743
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2cc(OC)c(N)cc2F)n1
InChIInChI=1S/C12H13FN4O2/c1-15-12(18)9-3-4-17(16-9)10-6-11(19-2)8(14)5-7(10)13/h3-6H,14H2,1-2H3,(H,15,18)
InChIKeyRQBIZQRWSLFDOZ-UHFFFAOYSA-N
XLogP0.96
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 64782075
4-amino-2-fluoro-5-methoxy-N-methylbenzamide
CID 89121907
1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide
CID 64782639
1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide
CID 64781708
3-amino-4-[3-(methylcarbamoyl)pyrazol-1-yl]benzoic acid
CID 64783070
1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide
CID 81299001
1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64780167
1-(2-carbamothioyl-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide
CID 81303375
1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide
CID 83166188
1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide
CID 64780581
1-(2-carbamothioyl-3-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 79519509
1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 82999798

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide (CID 107259743) is 1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2cc(OC)c(N)cc2F)n1.
What is the InChIKey of 1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is RQBIZQRWSLFDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-15-12(18)9-3-4-17(16-9)10-6-11(19-2)8(14)5-7(10)13/h3-6H,14H2,1-2H3,(H,15,18).
What are the key properties of 1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide?
1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 264.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 107259743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).