N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C13H15ClN4O — CID 66119916

IUPACN-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(Cl)cc2N)n(C)n1
InChIInChI=1S/C13H15ClN4O/c1-3-9-7-12(18(2)17-9)13(19)16-11-5-4-8(14)6-10(11)15/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyZRZSSXIGCXCHHP-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.47
Rot. Bonds3

About N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66119916) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66119916
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC NameN-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(Cl)cc2N)n(C)n1
InChIInChI=1S/C13H15ClN4O/c1-3-9-7-12(18(2)17-9)13(19)16-11-5-4-8(14)6-10(11)15/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyZRZSSXIGCXCHHP-UHFFFAOYSA-N
XLogP2.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.47
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

3-amino-4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121495
N-(4-amino-2-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120705
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
N-(2-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119722
N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 112557417
5-amino-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121300
N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122267
N-(5-amino-2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 104814558
3-ethyl-N-(4-fluoro-2-iodophenyl)-1-methylpyrazole-5-carboxamide
CID 79765896
N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121522
3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide
CID 131920585
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66119916) is N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2ccc(Cl)cc2N)n(C)n1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is ZRZSSXIGCXCHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-3-9-7-12(18(2)17-9)13(19)16-11-5-4-8(14)6-10(11)15/h4-7H,3,15H2,1-2H3,(H,16,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66119916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).