N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C13H16N4O — CID 66119915

IUPACN-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccccc2N)n(C)n1
InChIInChI=1S/C13H16N4O/c1-3-9-8-12(17(2)16-9)13(18)15-11-7-5-4-6-10(11)14/h4-8H,3,14H2,1-2H3,(H,15,18)
InChIKeyNKGKTMSYQMARFZ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.82
Rot. Bonds3

About N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66119915) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66119915
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccccc2N)n(C)n1
InChIInChI=1S/C13H16N4O/c1-3-9-8-12(17(2)16-9)13(18)15-11-7-5-4-6-10(11)14/h4-8H,3,14H2,1-2H3,(H,15,18)
InChIKeyNKGKTMSYQMARFZ-UHFFFAOYSA-N
XLogP1.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66119915) is N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2ccccc2N)n(C)n1.
What is the InChIKey of N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is NKGKTMSYQMARFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-9-8-12(17(2)16-9)13(18)15-11-7-5-4-6-10(11)14/h4-8H,3,14H2,1-2H3,(H,15,18).
What are the key properties of N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66119915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).