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

C13H16N4O — CID 43475556

IUPAC1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCN(C)C(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C13H16N4O/c1-3-16(2)13(18)11-8-9-17(15-11)12-7-5-4-6-10(12)14/h4-9H,3,14H2,1-2H3
InChIKeyBUJALXLJTRUNHO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.55
Rot. Bonds3

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

1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 43475556) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID43475556
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCN(C)C(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C13H16N4O/c1-3-16(2)13(18)11-8-9-17(15-11)12-7-5-4-6-10(12)14/h4-9H,3,14H2,1-2H3
InChIKeyBUJALXLJTRUNHO-UHFFFAOYSA-N
XLogP1.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
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 1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide (CID 43475556) is 1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide is CCN(C)C(=O)c1ccn(-c2ccccc2N)n1.
What is the InChIKey of 1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is BUJALXLJTRUNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-16(2)13(18)11-8-9-17(15-11)12-7-5-4-6-10(12)14/h4-9H,3,14H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide?
1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 43475556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).