N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide

C12H13FN4O — CID 28776839

IUPACN-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(N)c2)cnn1C
InChIInChI=1S/C12H13FN4O/c1-7-9(6-15-17(7)2)12(18)16-8-3-4-10(13)11(14)5-8/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyVHJCBXLTUYYIKG-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.70
Rot. Bonds2

About N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 28776839) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID28776839
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC NameN-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(N)c2)cnn1C
InChIInChI=1S/C12H13FN4O/c1-7-9(6-15-17(7)2)12(18)16-8-3-4-10(13)11(14)5-8/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyVHJCBXLTUYYIKG-UHFFFAOYSA-N
XLogP1.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61241001
N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776770
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 104780561
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43095846
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 55246685
N-(5-amino-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61292593
N-(2-fluoro-4-sulfamoylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43134041

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 28776839) is N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(F)c(N)c2)cnn1C.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is VHJCBXLTUYYIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-7-9(6-15-17(7)2)12(18)16-8-3-4-10(13)11(14)5-8/h3-6H,14H2,1-2H3,(H,16,18).
What are the key properties of N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 28776839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).